Papaveroxidine

HCID 189458

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Basic information

CAS: 116988-08-0
Standard SMILES: COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C(=O)O)c1OC
InChIKey: BHGUILBSZCQXQU-UXHICEINSA-N
Molecular formula: C24H27NO9
Average molar mass: 473.5 g/mol
Monoisotopic mass: 473.16858144

Overview

Papaveroxidine has been reported in Papaver orientale and Papaver pseudo-orientale with data available.

Names & identifiers

Preferred name: Papaveroxidine
IUPAC: 6-[(S)-acetyloxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzoic acid

Names & synonyms

Papaveroxidine116988-08-0DTXSID901516166-[(S)-acetyloxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzoic acidBenzoic acid, 6-((acetyloxy)(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-2,3-dimethoxy-, (S-(R*,S*))-6-((S)-acetyloxy-((5R)-4-methoxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)-2,3-dimethoxybenzoic acidRefChem:169926DTXCID30741076-{(S)-(Acetyloxy)[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}-2,3-dimethoxybenzoic acid

Database identifiers

CAS: 116988-08-0
PubChem CID: 189458
DTXSID: DTXSID90151616

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 735

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