Deacetyl Vinorelbine Sulfate Salt

CAS: 126347-74-8

Ref. TR-D199010

Product Information

• Name: Deacetyl Vinorelbine Sulfate Salt
• Synonyms: O4-Deacetyl-3',4'-didehydro-4'-deoxy-C'-norvincaleukoblastine Sulfate Salt, Desacetylnavelbine Sulfate Salt, O-Deacetylnavelbine Sulfate Salt, C'-Norvincaleukoblastine, O4-deacetyl-3',4'-didehydro-4'-deoxy-, methyl (2beta,3beta,4beta,5alpha,19alpha)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

Description

Applications A metabolite of Vinorelbine (V315000).
References Elmarakby, S., et al.: J. Med. Chem., 32, 2158 (1989), Jehl, F., et al.: Cancer Res., 51, 2073 (1991), Kajita, J., et al.: Drug Metab. Dispos., 28, 1121 (2000), Puozzo, C., et al.: J. Pharm. Biomed. Anal., 44, 144 (2007),

• Brand: TRC

Chemical properties

• Molecular weight: 834.97
• Formula: C₄₃H₅₄N₄O₁₁S
• Color/Form: Off-White to Pale Beige Solid
• InChI: InChI=1S/C43H52N4O7.H2O4S/c1-7-25-18-26-21-42(38(49)53-5,34-28(24-46(22-25)23-26)27-12-9-10-13-31(27)44-34)30-19-29-32(20-33(30)52-4)45(3)36-41(29)15-17-47-16-11-14-40(8-2,35(41)47)37(48)43(36,51)39(50)54-6;1-5(2,3)4/h9-14,18-20,26,35-37,44,48,51H,7-8,15-17,21-24H2,1-6H3;(H2,1,2,3,4)/t26?,35-,36+,37+,40+,41+,42+,43-;/m0./s1
• InChI key: InChIKey=BGSBVMSTWDEMNA-KEEAUTINSA-N
• SMILES: CCC1=CC2C[N@@](C1)Cc1c([nH]c3ccccc13)[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=S(=O)(O)O