Scopolamine hydrochloride
CAS Registry Number®
55-16-3
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CAS Name
Scopolamine hydrochlorideMolecular Formula
C17H21NO4.ClHCite this Page
Scopolamine hydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=55-16-3 (retrieved ) (CAS RN: 55-16-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
190-192 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1
InChIKey
InChIKey=KXPXJGYSEPEXMF-MOUKNHLCSA-N
SMILES
CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H].Cl
Canonical SMILES
Cl.O=C(OC1CC2N(C)C(C1)C3OC32)C(C=4C=CC=CC4)CO
Other Names for this Substance
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrochloride (1:1), (αS)-
- 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), hydrochloride
- Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrochloride, [7(S)-(1α,2β,4β,5α,7β)]-
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrochloride, (αS)-
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
