Vincristine-prednisone-nitrogen mustard-procarbazine mixt

2-chloro-N-(2-chloroethyl)-N-methylethanamine;(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione;methyl (1R,10S,11R,12R)-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;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride

CAS: 113803-47-7

Molecular Formula	`C84H113Cl3N8O16`
Molecular Weight	1597.2 g/mol
Topological Polar Surface Area	319.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	21
Rotatable Bonds	21
Exact Mass	1594.734
Heavy Atoms	111
Complexity	2770.0

Chemical Identifiers

CAS Number	113803-47-7
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.CC(C)NC(=O)C1=CC=C(C=C1)CNNC.CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C.CN(CCCl)CCCl.Cl`
InChIKey	`SVYBPMMLNVMOPS-WBQZPATFSA-N`

📖 Product Overview

Vincristine-prednisone-nitrogen mustard-procarbazine mixt (CAS: 113803-47-7) is a chemical compound with molecular formula C84H113Cl3N8O16 and molecular weight 1597.2 g/mol. Its IUPAC systematic name is 2-chloro-N-(2-chloroethyl)-N-methylethanamine;(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione;methyl (1R,10S,11R,12R)-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;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride. Topological Polar Surface Area 319.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 21 Rotatable Bonds 21 Exact Mass 1594.734 Heavy Atoms 111 Complexity 2770.0 InChI Key: SVYBPMMLNVMOPS-WBQZPATFSA-N. 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.CC(C)NC(=O)C1=CC=C(C=C1)CNNC.CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C.CN(CCCl)CCCl.Cl.

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