| Chemical Name: [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester) |
Synonyms
- Scopine tropate
- Scopolamine
- Tropane alkaloid
- Hyoscine
- NSC61806 (HBR)
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AIDS# 002711 |
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Links to ChemID Plus by CAS#
114-49-8 [HBR]51-34-36533-68-2 [HBR, TRIHYDRATE]
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Links to PubChem by AIDS#
002711
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ISOLATED DROM SCOPALA CARNIOLICA; HYDROBROMIDE SALT; OR HYDROBROMIDE SALT, TRIHYDRATE; OR HYDROCHLORIDE SALT
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| C17 H21 N O4
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MW: 303.36
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Links to PubMed by CAS#
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| H-bond donors:
1 |
H-bond acceptors:
5
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PHIA (Flexible Bonds):
3.53 |
Calc. LogP
(MDL QSAR):
1.25
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| Company:
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Calc. LogP
(KowWin): 0.39 |
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Anti-HIV Cellular data: 0
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Lines of Data: 1
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Anti-OI data: 0
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TB Min MIC
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TB Min IC50
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Links to NIST by AIDS#
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Number of References: 0
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Number of References: 1
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Number of References: 0
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Lipinski: 4
(Score, out of 4)
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| Classes: ALKALOIDS; NATURAL PRODUCTS; TROPANES |