Vindesine

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Catalog Number
ACM53643484
Product Name
Vindesine
Structure
Structure
CAS
53643-48-4
Category
Heterocyclic Organic Compound
Synonyms
Desacetylvinblastine amide
Molecular Weight
753.9
Molecular Formula
C43H55N5O7
InChI
InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
InChI Key
HHJUWIANJFBDHT-KOTLKJBCSA-N
Density
1.41g/cm³
Complexity
1570
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
9
Exact Mass
753.41014911
Heavy Atom Count
55
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
5
Isomeric SMILES
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O
Monoisotopic Mass
753.41014911
Physical State
Powder
Rotatable Bond Count
7
Topological Polar Surface Area
165 Ų
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