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Vinblastine sulfate 5mg

CAT: 0628-A13661-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13661-5Size:5 mg
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CAS Number
143-67-9

Chemical Information

Vinblastine Sulfate

Vinblastine Sulfate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number143-67-9
PubChem CID5388983
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-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;sulfuric acid
Molecular FormulaC46H60N4O13S
Molecular Weight909.1
Topological Polar Surface Area237
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count64
Formal Charge0
Complexity1780
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)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
InChI
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-;/m0./s1
InChIKey
KDQAABAKXDWYSZ-PNYVAJAMSA-N
Chemical Structure
2D Structure
2D structure of Vinblastine Sulfate
CAS: 143-67-9
CID: 5388983
Formula: C46H60N4O13S
MW: 909.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight909.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass908.38775915
Monoisotopic Mass908.38775915
Topological Polar Surface Area237 Ų
Heavy Atom Count64
Formal Charge0
Complexity1780
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
301105Vinblastine sulfate
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