Vinorelbine（CAS番号：71486-22-1）

Vinorelbine

基本情報

編集器で閲覧

CAS番号

71486-22-1

分子式

C45H54N4O8

分子量

778.95 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

Powder

溶解度

White to yellow or light brown amorphous powder. MF: C45H54N4O8.2C4H6O6. MW: 1079.12. Aqueous solubility: >1000 mg/ml in distilled water. pH approx 3.5 /Tartrate/

比旋光度

D20 +52.4° (c = 0.3 in CHCl3)

SMILES

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CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC

InChI

InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28?,37-,38+,39+,42+,43+,44-,45-/m0/s1

InChIKey

GBABOYUKABKIAF-BXZSYHTRSA-N

LogP

4.753600000000006

トポロジカル極性表面積

133.87 Å²

水素結合ドナー/アクセプター

2 / 12

複雑度

1690

安全情報

安全情報を表示

保管条件

2-8℃

毒性

LD50 in mice (mg/m2): 72 i.v.; 78 orally (Mathé, Reizenstein)

同義語と引用データ

英語

5'-nor-anhydrovinblastine
CCG-208616
Navelbine base
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)-
DTXCID6020640
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-((6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
SR-05000001504
VINORELBINE [WHO-DD]
AKOS024457606
Navelbin
VINORELBINE TARTRATE IMPURITY J [EP IMPURITY]
Eunades
Vinorelbine (INN)
FT-0657343
HSDB 7665
AB01275493-01
Dihydroxydeoxynorvinkaleukoblastine
EN300-19767066
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4(9),5,7,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Nor-5'-anhydrovinblastine
Vinorelbinum
NSC-760087
CHEBI:480999
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-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
KW-2307 base
Vinorelbinum [Latin]
Navelbine
5' Nor anhydrovinblastine
Exelbine
VINORELBINE [INN]