Vinorelbine

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Catalog Number
ACM71486221
Product Name
Vinorelbine
Structure
Structure
CAS
71486-22-1
Category
Heterocyclic Organic Compound
Synonyms
5-Noranhydrovinblastine
Molecular Weight
778.9
Molecular Formula
C45H54N4O8
InChI
InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1
InChI Key
GBABOYUKABKIAF-IELIFDKJSA-N
Complexity
1690
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
8
Exact Mass
778.39416469
Heavy Atom Count
57
Hydrogen Bond Acceptor Count
11
Hydrogen Bond Donor Count
2
Isomeric SMILES
CCC1=C[C@H]2C[C@@](C3=C(CN(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)OC)O)OC(=O)C)CC)OC)C(=O)OC
Monoisotopic Mass
778.39416469
Physical State
Powder
Rotatable Bond Count
10
Topological Polar Surface Area
134 Ų
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