CAS Registry Number®
76822-34-9
CAS Name
Anisodine hydrobromide
Molecular Formula
C17H21NO5.BrH
Compound Properties
-
Melting Point (1)
>192 °C (decomp)
Source(s)
- (1) Chang, Junbiao; European Journal of Medicinal Chemistry, (2006), 41(3), 397-400, CAplus
Other Names and Identifiers
InChI
InChI=1S/C17H21NO5.BrH/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10;/h2-6,11-15,19,21H,7-9H2,1H3;1H/t11-,12-,13+,14-,15+,17-;/m1./s1
InChIKey
InChIKey=GJPDCORRBGIJOP-JYHRPVKFSA-N
SMILES
CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@](CO)(O)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H].Br
Canonical SMILES
Br.O=C(OC1CC2N(C)C(C1)C3OC32)C(O)(C=4C=CC=CC4)CO
Other Names for this Substance
- Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-
- Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, [7(S)-(1α,2β,4β,5α,7β)]-
- Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, (αS)-
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
- Anisodine hydrobromide
