Navelbine (TN) structure

Navelbine (TN)

bis((2R,3R)-2,3-dihydroxybutanedioic acid);methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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

Also Known As: Vinorelbine tartrate|Navelbine|Vinorelbine ditartrate|Navelbine (TN)|Vinorelbine Bitartarate|AC1L1TWN|Vinorelbine tartrate [USAN]|Vinorelbine tartrate (USP)|Vinorelbine ditartrate (JAN)|orb1300974|Nor-5'-anhydrovinblastine ditartrate|Vinorelbine tartrate [USAN:USP]|KW 2307|KW-2307|AN-569|s4269|T6213|D01935|3',4'-Didehydro-4'-deoxy-8'-norvincaleukoblastine L-(+)-tartrate (1:2) (salt)|(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetoxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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|3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate bis((2R,3R)-2,3-dihydroxysuccinate)|Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt)|bis((2R,3R)-2,3-dihydroxybutanedioic acid); methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0(3),(1)(1).0?,?]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0(1),?.0(2),?.0(1)?,(1)?]nonadeca-2(7),3,5,13-tetraene-10-carboxylate|C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2) (salt)|methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl)-5-hydroxy-8-methoxy-6-methyl-3a,

CAS: 125317-39-7
Molecular Formula C53H66N4O20
Molecular Weight 1078.427 g/mol
LogP 0.51
Topological Polar Surface Area 363.99 Ų
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 19
Rotatable Bonds 13
Exact Mass 1078.427
Heavy Atoms 77
Complexity 2830.6

Chemical Identifiers

CAS Number 125317-39-7
SMILES CCC1=CC2C[C@@](C3=C(CN(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.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Product Overview

Navelbine (TN) (CAS 125317-39-7), with molecular formula C53H66N4O20 and molecular weight 1078.427 g/mol. IUPAC: bis((2R,3R)-2,3-dihydroxybutanedioic acid);methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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.

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