labetuzumab govitecan
chemical compound
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labetuzumab govitecan
Summary
labetuzumab govitecan is a group of stereoisomers[1].
Key Facts
- labetuzumab govitecan's instance of is recorded as group of stereoisomers[2].
- labetuzumab govitecan's CAS Registry Number is recorded as 1469876-18-3[3].
- labetuzumab govitecan's canonical SMILES is recorded as CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)OC(=O)OCC6=CC=C(C=C6)NC(=O)C(CCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)C8CCC(CC8)CN9C(=O)CC(C9=O)SCC(C(=O)O)N)O[4].
- labetuzumab govitecan's InChI is recorded as InChI=1S/C75H102N12O24S/c1-3-54-55-36-53(88)15-16-60(55)82-67-56(54)42-86-62(67)37-58-57(70(86)94)44-109-73(98)75(58,4-2)111-74(99)110-43-49-9-13-51(14-10-49)80-69(93)61(6-5-17-76)81-65(90)46-108-45-64(89)78-18-20-100-22-24-102-26-28-104-30-32-106-34-35-107-33-31-105-29-27-103-25-23-101-21-19-85-41-52(83-84-85)39-79-68(92)50-11-7-48(8-12-50)40-87-66(91)38-63(71(87)95)112-47-59(77)72(96)97/h9-10,13-16,36-37,41,48,50,59,61,63,88H,3-8,11-12,17-35,38-40,42-47,76-77H2,1-2H3,(H,78,89)(H,79,92)(H,80,93)(H,81,90)(H,96,97)/t48?,50?,59-,61-,63?,75-/m0/s1[5].
- labetuzumab govitecan's InChIKey is recorded as CBNAAKBWBABMBY-LQCKLLCCSA-N[6].
- labetuzumab govitecan's chemical formula is recorded as C₇₅H₁₀₂N₁₂O₂₄S[7].
- labetuzumab govitecan's subclass of is recorded as chemical compound[8].
- labetuzumab govitecan's UNII is recorded as 8E3HI6QQ9J[9].
- labetuzumab govitecan's ChemSpider ID is recorded as 58172699[10].
- labetuzumab govitecan's PubChem CID is recorded as 91668184[11].
- labetuzumab govitecan's isomeric SMILES is recorded as CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)OC(=O)OCC6=CC=C(C=C6)NC(=O)C@HNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)C8CCC(CC8)CN9C(=O)CC(C9=O)SCC@@HN)OC@HNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(">[12].
- labetuzumab govitecan's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1586.685'}[13].
- labetuzumab govitecan's subject has role is recorded as monoclonal antibody[14].
- labetuzumab govitecan's SureChEMBL ID is recorded as 29620406[15].
- labetuzumab govitecan's UniChem compound ID is recorded as 100417585[16].
- labetuzumab govitecan's Probes And Drugs ID is recorded as PD058130[17].