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3',4'-Anhydrovinblastine

CAT: 1410-M18500-01Size: 1 EachDry Ice: NoHazardous: No
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Description
3', 4'-Anhydrovinblastine is an antineoplastic agent.
CAS Number
38390-45-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
792.96
Molecular Formula
C46H56N4O8
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Anhydrovinblastine

Anhydrovinblastine has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.

CAS Number38390-45-3
PubChem CID11104750
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC46H56N4O8
Molecular Weight793.0
XLogP4
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count58
Formal Charge0
Complexity1710
SMILES
CCC1=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)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI
InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44+,45-,46-/m0/s1
InChIKey
FFRFGVHNKJYNOV-ZCIMLLHDSA-N
Chemical Structure
2D Structure
2D structure of Anhydrovinblastine
CAS: 38390-45-3
CID: 11104750
Formula: C46H56N4O8
MW: 793.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.0
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass792.40981476
Monoisotopic Mass792.40981476
Topological Polar Surface Area134 Ų
Heavy Atom Count58
Formal Charge0
Complexity1710
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3608494-013',4'-Anhydrovinblastine
MBS3840598-013', 4'-Anhydrovinblastine
A14781-253',4'-Anhydrovinblastine 25mg
A14781-1003',4'-Anhydrovinblastine 100mg
A14781-503',4'-Anhydrovinblastine 50mg
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HY-N0675AAnhydrovinblastine (sulfate)
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