N-DESMETHYL VINBLASTINE

CAS No.
18172-50-4
CCD No.
CCD00238303
Formula
C45 H56 N4 O9
MolWeight
796.956

Basic Information

Product Name: N-DESMETHYL VINBLASTINE
CAS: 18172-50-4
English Synonyms: N-DESMETHYL VINBLASTINE ; N-DEFORMYLVINCRISTINE ; 1-DEMETHYL-VINCALEUKOBLASTINE ; N-DEFORMYLLEUROCRISTINE
MDL Number.: MFCD01675271
H bond acceptor: 13
H bond donor: 4
Smile: CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C(=O)OC)O
InChi: InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36+,37-,38+,41-,42+,43-,44-,45-/m0/s1
InChiKey: InChIKey=OBEIXXHHUOSBLA-UQUCNHJPSA-N

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