anhydrovinblastine
chemical compound
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anhydrovinblastine
Summary
anhydrovinblastine is a group of stereoisomers[1].
Key Facts
- anhydrovinblastine's instance of is recorded as group of stereoisomers[2].
- anhydrovinblastine's CAS Registry Number is recorded as 38390-45-3[3].
- anhydrovinblastine's canonical SMILES is recorded as CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC[4].
- anhydrovinblastine's InChI is recorded as InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44+,45-,46-/m0/s1[5].
- anhydrovinblastine's InChIKey is recorded as FFRFGVHNKJYNOV-ZCIMLLHDSA-N[6].
- anhydrovinblastine's chemical formula is recorded as C₄₆H₅₆N₄O₈[7].
- anhydrovinblastine's subclass of is recorded as chemical compound[8].
- anhydrovinblastine's UNII is recorded as 5B622U08B3[9].
- anhydrovinblastine's ChemSpider ID is recorded as 9279888[10].
- anhydrovinblastine's PubChem CID is recorded as 11104750[11].
- anhydrovinblastine's DrugBank ID is recorded as DB12586[12].
- anhydrovinblastine's isomeric SMILES is recorded as CCC1=C[C@H]2CC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OCC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OC">[13].
- anhydrovinblastine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+792.41'}[14].
- anhydrovinblastine's SureChEMBL ID is recorded as 29369687[15].
- anhydrovinblastine's SureChEMBL ID is recorded as 15357217[16].
- anhydrovinblastine's DSSTox substance ID is recorded as DTXSID70873203[17].
- anhydrovinblastine's DSSTOX compound identifier is recorded as DTXCID00820700[18].
- anhydrovinblastine's UniChem compound ID is recorded as 33163406[19].
- anhydrovinblastine's DrugCentral ID is recorded as 219[20].
- anhydrovinblastine's Probes And Drugs ID is recorded as PD072064[21].