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Unclassified Organic Compounds

Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.
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1 – 15 of 194 results
1

Calcium thioglycolate trihydrate, 99%

CAS: 5793-98-6 Molecular Formula: C2H10CaO5S Molecular Weight (g/mol): 186.24 MDL Number: MFCD00150707 InChI Key: GDECCIJZCWLFSB-UHFFFAOYSA-N Synonym: calciumthioglycolatetrihydrate PubChem CID: 131881455 SMILES: O.O.O.[Ca].OC(=O)CS

EDGE
PubChem CID 131881455
CAS 5793-98-6
Molecular Weight (g/mol) 186.24
MDL Number MFCD00150707
SMILES O.O.O.[Ca].OC(=O)CS
Synonym calciumthioglycolatetrihydrate
InChI Key GDECCIJZCWLFSB-UHFFFAOYSA-N
Molecular Formula C2H10CaO5S
2

Calcium acetate hydrate, 99%

CAS: 114460-21-8 Molecular Formula: C4H6CaO4 Molecular Weight (g/mol): 158.17 MDL Number: MFCD00012448 InChI Key: VSGNNIFQASZAOI-UHFFFAOYSA-L IUPAC Name: calcium diacetate SMILES: [Ca++].CC([O-])=O.CC([O-])=O

CAS 114460-21-8
Molecular Weight (g/mol) 158.17
MDL Number MFCD00012448
SMILES [Ca++].CC([O-])=O.CC([O-])=O
IUPAC Name calcium diacetate
InChI Key VSGNNIFQASZAOI-UHFFFAOYSA-L
Molecular Formula C4H6CaO4
3

Rosuvastatin, calcium salt, 98%

CAS: 147098-20-2 Molecular Formula: C22H28FN3O6S·1/2Ca Molecular Weight (g/mol): 500.58 InChI Key: LQFSLFAVBQEFBH-LSMDDVBQSA-N Synonym: 3s,5r-rosuvastatin calcium salt, ent-rosuvastatin PubChem CID: 131673834 IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen SMILES: [HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]

PubChem CID 131673834
CAS 147098-20-2
Molecular Weight (g/mol) 500.58
SMILES [HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]
Synonym 3s,5r-rosuvastatin calcium salt, ent-rosuvastatin
IUPAC Name calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen
InChI Key LQFSLFAVBQEFBH-LSMDDVBQSA-N
Molecular Formula C22H28FN3O6S·1/2Ca
4

Calcium Phosphate Dibasic, MP Biomedicals™

CAS: 7757-93-9 Molecular Formula: CaHO4P Molecular Weight (g/mol): 136.06 MDL Number: MFCD00010909 InChI Key: FUFJGUQYACFECW-UHFFFAOYSA-L Synonym: Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate IUPAC Name: calcium hydrogen phosphate SMILES: [Ca++].OP([O-])([O-])=O

CAS 7757-93-9
Molecular Weight (g/mol) 136.06
MDL Number MFCD00010909
SMILES [Ca++].OP([O-])([O-])=O
Synonym Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate
IUPAC Name calcium hydrogen phosphate
InChI Key FUFJGUQYACFECW-UHFFFAOYSA-L
Molecular Formula CaHO4P
5

Folinic acid calcium salt hydrate, 98%

CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium;(4S)-4-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

PubChem CID 131675590
CAS 1492-18-8
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
Synonym calcium folinate
IUPAC Name calcium;(4S)-4-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
6

Calcium 3-hydroxy-3-methylbutyrate hydrate, 97+%

CAS: 135236-72-5 Molecular Formula: C10H18CaO6 Molecular Weight (g/mol): 274.33 MDL Number: MFCD01318562 InChI Key: WLJUMPWVUPNXMF-UHFFFAOYSA-L Synonym: calcium 3-hydroxy-3-methyl butyrate PubChem CID: 131847069 SMILES: [Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O

PubChem CID 131847069
CAS 135236-72-5
Molecular Weight (g/mol) 274.33
MDL Number MFCD01318562
SMILES [Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O
Synonym calcium 3-hydroxy-3-methyl butyrate
InChI Key WLJUMPWVUPNXMF-UHFFFAOYSA-L
Molecular Formula C10H18CaO6
7

Calcium Thioglycolate Trihydrate 94.0+%, TCI America™
SDP

CAS: 5793-98-6 Molecular Formula: C4H14CaO7S2 Molecular Weight (g/mol): 278.347 MDL Number: MFCD00043437 InChI Key: YKVKKJPPSKLAFH-UHFFFAOYSA-N Synonym: calciumthioglycolatetrihydrate PubChem CID: 131881455 IUPAC Name: calcium;2-sulfanylacetic acid;trihydrate SMILES: C(C(=O)O)S.C(C(=O)O)S.O.O.O.[Ca]

PubChem CID 131881455
CAS 5793-98-6
Molecular Weight (g/mol) 278.347
MDL Number MFCD00043437
SMILES C(C(=O)O)S.C(C(=O)O)S.O.O.O.[Ca]
Synonym calciumthioglycolatetrihydrate
IUPAC Name calcium;2-sulfanylacetic acid;trihydrate
InChI Key YKVKKJPPSKLAFH-UHFFFAOYSA-N
Molecular Formula C4H14CaO7S2
8

Acetobromo-alpha-D-glucose, 97%, stab. with 2% calcium carbonate

CAS: 572-09-8 Molecular Formula: C14H19BrO9 Molecular Weight (g/mol): 411.20 MDL Number: MFCD00063254 InChI Key: CYAYKKUWALRRPA-HAGGZJDPNA-N Synonym: 2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide,acetobromglucose,acetobromglucose,acetobromoglucose,acetobromo-alpha-d-glucose,acetobromo glucose,acetobromo glucose,2,3,4,6-tetra-o-acetyl-,2r,3r,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate PubChem CID: 101776 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

PubChem CID 101776
CAS 572-09-8
Molecular Weight (g/mol) 411.20
MDL Number MFCD00063254
SMILES CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Synonym 2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide,acetobromglucose,acetobromglucose,acetobromoglucose,acetobromo-alpha-d-glucose,acetobromo glucose,acetobromo glucose,2,3,4,6-tetra-o-acetyl-,2r,3r,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate
IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
InChI Key CYAYKKUWALRRPA-HAGGZJDPNA-N
Molecular Formula C14H19BrO9
9

Calcium Methacrylate Hydrate, TCI America™
SDP

CAS: 16809-88-4 Molecular Formula: C8H12CaO4 Molecular Weight (g/mol): 212.258 MDL Number: MFCD00151661 InChI Key: QYOYGGOEWRXYDF-UHFFFAOYSA-N Synonym: Methacrylic Acid Calcium Salt PubChem CID: 131874840 IUPAC Name: calcium;2-methylprop-2-enoic acid SMILES: CC(=C)C(=O)O.CC(=C)C(=O)O.[Ca]

PubChem CID 131874840
CAS 16809-88-4
Molecular Weight (g/mol) 212.258
MDL Number MFCD00151661
SMILES CC(=C)C(=O)O.CC(=C)C(=O)O.[Ca]
Synonym Methacrylic Acid Calcium Salt
IUPAC Name calcium;2-methylprop-2-enoic acid
InChI Key QYOYGGOEWRXYDF-UHFFFAOYSA-N
Molecular Formula C8H12CaO4
10

Calcium Glycolate 97.0+%, TCI America™
SDP

CAS: 26257-13-6 Molecular Formula: C4H8CaO6 Molecular Weight (g/mol): 192.18 MDL Number: MFCD00067202 InChI Key: UPYDGZJYILCHSK-UHFFFAOYSA-N Synonym: Glycolic Acid Calcium Salt, Hydroxyacetic Acid Calcium Salt PubChem CID: 131888598 IUPAC Name: calcium;2-hydroxyacetic acid SMILES: C(C(=O)O)O.C(C(=O)O)O.[Ca]

PubChem CID 131888598
CAS 26257-13-6
Molecular Weight (g/mol) 192.18
MDL Number MFCD00067202
SMILES C(C(=O)O)O.C(C(=O)O)O.[Ca]
Synonym Glycolic Acid Calcium Salt, Hydroxyacetic Acid Calcium Salt
IUPAC Name calcium;2-hydroxyacetic acid
InChI Key UPYDGZJYILCHSK-UHFFFAOYSA-N
Molecular Formula C4H8CaO6
11

Azocal A [for Calcium determination], TCI America™
SDP

CAS: 1836-22-2 Molecular Formula: C17H9N2Na3O9S2 Molecular Weight (g/mol): 518.35 MDL Number: MFCD00046379 InChI Key: SJYYQLRKEKKFSX-NETMGOMMSA-K PubChem CID: 131850130 IUPAC Name: trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate SMILES: [Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O

PubChem CID 131850130
CAS 1836-22-2
Molecular Weight (g/mol) 518.35
MDL Number MFCD00046379
SMILES [Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
InChI Key SJYYQLRKEKKFSX-NETMGOMMSA-K
Molecular Formula C17H9N2Na3O9S2
12

Calcium meso-Tartrate Trihydrate 98.0+%, TCI America™
SDP

CAS: 815-79-2 Molecular Formula: C4H6CaO6 Molecular Weight (g/mol): 190.164 MDL Number: MFCD00151483 InChI Key: XTHSXAWAKVEMHZ-NUGIMEKKSA-N Synonym: Calcium Mesotartrate, Mesotartaric Acid Calcium Salt, meso-Tartaric Acid Calcium Salt PubChem CID: 131885529 IUPAC Name: calcium;(2R,3S)-2,3-dihydroxybutanedioic acid SMILES: C(C(C(=O)O)O)(C(=O)O)O.[Ca]

PubChem CID 131885529
CAS 815-79-2
Molecular Weight (g/mol) 190.164
MDL Number MFCD00151483
SMILES C(C(C(=O)O)O)(C(=O)O)O.[Ca]
Synonym Calcium Mesotartrate, Mesotartaric Acid Calcium Salt, meso-Tartaric Acid Calcium Salt
IUPAC Name calcium;(2R,3S)-2,3-dihydroxybutanedioic acid
InChI Key XTHSXAWAKVEMHZ-NUGIMEKKSA-N
Molecular Formula C4H6CaO6
13

Calcium Bis(fluorosulfonyl)imide 98.0+%, TCI America™
SDP

CAS: 1906900-37-5 Molecular Formula: CaF4N2O8S4

CAS 1906900-37-5
Molecular Formula CaF4N2O8S4
14

Calcium(II) Bis(nonafluorobutanesulfonyl)imide 95.0+%, TCI America™
SDP

CAS: 689282-13-1 Molecular Formula: C16CaF36N2O8S4 Molecular Weight (g/mol): 1200.443 InChI Key: WGPFQGXTGKSRPV-UHFFFAOYSA-N Synonym: Bis(nonafluorobutanesulfonyl)imide Calcium(II) Salt PubChem CID: 134128889 IUPAC Name: calcium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide SMILES: C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[Ca+2]

PubChem CID 134128889
CAS 689282-13-1
Molecular Weight (g/mol) 1200.443
SMILES C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[Ca+2]
Synonym Bis(nonafluorobutanesulfonyl)imide Calcium(II) Salt
IUPAC Name calcium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
InChI Key WGPFQGXTGKSRPV-UHFFFAOYSA-N
Molecular Formula C16CaF36N2O8S4
15

Selectophore™ Calcium ionophore IV, Function Tested, MilliporeSigma™ Supelco™

MDL Number: MFCD00213934 Synonym: N,N-Dicyclohexyl-N′,N′-dioctadecyl-3-oxapentanediamide; N,N-Dicyclohexyl-N′,N′-dioctadecyl-diglycolic diamide; ETH 5234

MDL Number MFCD00213934
Synonym N,N-Dicyclohexyl-N′,N′-dioctadecyl-3-oxapentanediamide; N,N-Dicyclohexyl-N′,N′-dioctadecyl-diglycolic diamide; ETH 5234