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Vincristine Sulfate

CAT: 0013-GTR19154190Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154190Size:20 mg
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Description
Vincristine Sulfate
CAS Number
2068-78-2
Field of Research
Pharmacology & Drug Discovery
Purity
> 98%, Standard References
Smiles
O[C@@]1 (C (OC) =O) [C@@]2 ([H]) [C@@] (C (C=C3[C@] (C[C@@] (C[C@]4 (CC) O) ([H]) CN (C4) CC5) (C (OC) =O) C6=C5C (C=CC=C7) =C7N6) =C (C=C3OC) N2C=O) (CCN8CC=C[C@@]9 (CC) [C@H]1OC (C) =O) [C@@]89[H].OS (O) (=O) =O
Molecular Formula
C46H56N4O10
Molecular Weight
824.96
Notes
For research use only.

Chemical Information

Vincristine Sulfate

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

CAS Number2068-78-2
PubChem CID249332
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
Molecular FormulaC46H58N4O14S
Molecular Weight923.0
Topological Polar Surface Area254
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count65
Formal Charge0
Complexity1830
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=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
InChI
InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
InChIKey
AQTQHPDCURKLKT-JKDPCDLQSA-N
Chemical Structure
2D Structure
2D structure of Vincristine Sulfate
CAS: 2068-78-2
CID: 249332
Formula: C46H58N4O14S
MW: 923.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight923.0
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass922.36702371
Monoisotopic Mass922.36702371
Topological Polar Surface Area254 Ų
Heavy Atom Count65
Formal Charge0
Complexity1830
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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Alternative Products

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A1765-5Vincristine sulfate
BML-T117-0025Vincristine . sulfate
HY-N0488-01Vincristine (sulfate)

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