Vincristine Sulfate
PubChem CID: 249332
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| Compound Synonyms | Vincristine sulfate, 2068-78-2, Kyocristine, Vincristine sulphate, Vincrisul, Oncovin, Novopharm, Leurocristine sulfate, NSC 67574, Onkovin, Vincrex, Marqibo, Vincristine, sulfate, 22-oxovincaleukoblastine sulfate, Leurocristine, sulfate, VCR sulfate, NSC67574, rel-Vincristine Sulfate, Vincaleukoblastine, 22-oxo-, sulfate (1:1), Leurocristine sulfate (1:1), Vincristine Sulfate PFS, Marqibo Kit, DTXSID8044331, Lilly 37231, CHEBI:79401, LILLY-37231, Leurocristine sulfate (1:1) (salt), NSC-67574, Leurocristine, sulfate (1:1) (salt), 1217704-93-2, MLS002702994, Vincosid, VINCRISTINE SULFATE (IARC), VINCRISTINE SULFATE (MART.), VINCRISTINE SULFATE (USP-RS), Vincristini sulfas, Oncovin (Lilly), Vincasar (TN), VINCRISTINE SULFATE (EP MONOGRAPH), Marqibo (TN), Oncovin (TN), Vincrex (TN), VINCRISTINE SULFATE (USP MONOGRAPH), MFCD08706469, Sulfate, Vincristine, LCR SULPHATE, VCR SULPHATE, Vincristine sulphate Salt, Vincristine sulfate liposome, SCHEMBL3710, LEUROCRISTINE SULPHATE, CHEMBL501867, DTXCID6024331, HY-N0488R, Leurocristine (sulfate), NSC-67574 (sulfate), 22-Oxovincaleukoblastine (sulfate), Vincristine (sulfate) (Standard), HMS3414L13, HMS3678L11, AKOS015895862, FV28696, NS00076429, V0129, LCR, VCR, D02197, DES-NA-METHYL-NA-FORMYLVINBLASTINE SULPHATE, 22-OXOVINCALEUKOBLASTINE SULFATE (1:1) (SALT), 218-190-0, 22-Oxovincaleukoblastine sulfate salt, (2alpha,2'beta,3alpha,4alpha,5beta,19beta)-22-Oxovincaleukoblastine sulfate (1:1), methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate, sulfuric acid, methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((3S,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate sulfate, Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-acetoxy-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-methoxycarbonyl-1,4,5,6,7,8,9,10-octahydro-3,7-methano-3-azacycloundecino(5,4-b)indol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino(8,1-cd)carbazole-5-carboxylate monosulfate |
|---|---|
| Topological Polar Surface Area | 254.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | AQTQHPDCURKLKT-JKDPCDLQSA-N |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 65.0 |
| Compound Name | Vincristine Sulfate |
| Exact Mass | 922.367 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 922.367 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1830.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 923.0 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Uniprot Id | n.a., O42275, P81908, O95342, Q92887, O15438, O15439 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate, sulfuric acid |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6, 1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3, (H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+, /m1./s1 |
| Smiles | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C46H58N4O14S |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Verrucosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Diospyros Verrucosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Gynoxys Verrucosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Reference: