Aspidospermidin-3-carbonsure, 4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, Methylester, (2β,3β,4β,5α,12β,19α)-
Vindoline
Grundinformationen
- CAS
2182-14-1- Standard-SMILES
CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32- InChIKey
CXBGOBGJHGGWIE-ACSXSLCXSA-N- Summenformel
- C25H32N2O6
- Durchschnittliche Molmasse
- 456,5 g/mol
- Monoisotopische Masse
- 456,22603674
Überblick
Vindoline is a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heteropentacyclic compound, an alkaloid ester, an acetate ester and a tertiary amino compound. It is a conjugate base of a vindolinium(1+).
Namen und Bezeichner
- Bevorzugter Name
- Vindoline
- IUPAC
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
- Lokaler Name
- Aspidospermidin-3-carbonsure, 4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, Methylester, (2β,3β,4β,5α,12β,19α)-
- Englischer Name
- Vindoline
- Summenformel
- C25H32N2O6
- Molmasse
- 456.53
Namen und Synonyme
Vindoline2182-14-1Vindolin(-)-VindolineNSC91994571PJ1LW03NSC-91994CHEBI:16380DTXSID901045589NSC-628056(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acidmethyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate
Weitere Namen anzeigen
(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl esterNSC 91994WenduolingVindoline TartrateVindoline, ≥98.0%(HPLC)Vindoline, 10 mM in DMSOVindoline, froM Myrica rubra
NSC628056methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2(7),3,5,13-tetraene-10-carboxylatemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylateRefChem:194275DTXCID101527515(2 beta,3 beta,4 beta,5 alpha,12 beta,19 alpha)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acid218-558-0MFCD27991347
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 88,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 864
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-1650C
- Siedepunkt
- 569.8 · 569.8±50.0 °C(Predicted)
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- pka
- 5.5 in · 5.5 in 66% DMF (Moza, Trojánek)
- Aggregatzustand
- White to off-white crystalline powder.
- Farbe
- White to Off-White
- InChIKey
- CXBGOBGJHGGWIE-KCXUSKTKNA-N
- SMILES
- [C@@]123CCN4CC=C[C@](CC)([C@H](OC(=O)C)[C@@](O)(C(=O)OC)[C@@]1([H])N(C1C=C(OC)C=CC2=1)C)[C@]34[H] |&1:0,7,10,15,21,33,r|
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H341 (97.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesMuta. 2 (97.5%)
Sicherheitsdaten
- hs_code
- 29339900
- RTECS-Nr.
- CJ0120000
- risk_code
- 68
- hazard_code
- Xn
- safety_code
- 36/37-24/25
Chemie und Industrie
Anwendungen
VerwendenVindoline is a novel antitumor agent.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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