Duopect

HCID 192084

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 76404-10-9
Standard SMILES: COc1cc(C(O)C(O)CO)ccc1O.COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C.Cl
InChIKey: VTQRVURBARCSPK-WCRQIBMVSA-N
Molecular formula: C32H38ClNO12
Average molar mass: 664.1 g/mol
Monoisotopic mass: 663.2082533

Overview

combination of narcotine & glycerol guaiacolate; used as an expectorant antitussive agent

Names & identifiers

Preferred name: Duopect
IUPAC: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;hydrochloride

Names & synonyms

Duopect76404-10-91(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, hydrochloride, (S-(R*,S*))-, mixt. with 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriolRefChem:135996SCHEMBL31747747DTXSID80997782(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol--hydrogen chloride (1/1/1)6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol--hydrogen chloride (1/1/1)

Database identifiers

CAS: 76404-10-9
PubChem CID: 192084
DTXSID: DTXSID80997782

Properties

Computed structural properties

Topological polar surface area: 166 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 13
Rotatable bonds: 8
Heavy atoms: 46
Formal charge: 0
Complexity: 834

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…