InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1

【InChIKey】

InChIKey=KDQAABAKXDWYSZ-JKDPCDLQSA-N

【SMILES】

CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](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)C(=O)OC)O.OS(=O)(=O)O

【MOL File】

VINBLASTINE SULFATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:13

XLogP3:4.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS05

GHS07

【hazard symbol】

【Risk Code】

22,37/38,41

【Safe Code】

26,36/39

【WGK Germany】

4CML File

VINBLASTINE SULFATE.cml

Quick Release

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143-67-9 VINBLASTINE SULFATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】