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Vincristine-[d3] sulfate

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Vincristine-[d3] sulfate

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General Information
Catalog: BLP-013747
CAS: 1246817-10-6
Molecular Formula: C46H55D3N4O14S
Molecular Weight: 926.05

Chemical Structure

Description	Vincristine-[d3] sulfate is the labelled salt of Vincristine, which is an inhibitor of polymerization of microtubules by binding to tubulin with IC50 of 32 μM.
Synonyms	Vincristine-d3 sulfate; 22-Oxovincaleukoblastine-d3 Sulfate; Leurocristine-d3 Sulfate; Kyocristine-d3; Lilly 37231-d3; NSC 67574-d3; Novopharm-d3; Oncovin-d3; Onkovin-d3; VCR Sulfate-d3; Vincasar PFS-d3; Vincrisul-d3
IUPAC Name	methyl (1R,9R,10S,11R,12R,19R)-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-11-(2,2,2-trideuterioacetyl)oxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
Related CAS	2068-78-2 (unlabelled) 1246817-09-3 (free base)
Canonical SMILES	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=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/i3D3;
InChI Key	AQTQHPDCURKLKT-HFGIHNKKSA-N
Melting Point	>200°C (dec.)
Purity	≥95%; ≥98% atom D
Solubility	Soluble in Dichloromethane (Slightly), Methanol (Slightly)
Appearance	White to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere

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