Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine

[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid

CAS: 52387-20-9

Molecular Formula	`C31H39N5O6`
Molecular Weight	577.7 g/mol
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	577.29004
Heavy Atoms	42
Complexity	782.0

Chemical Identifiers

CAS Number	52387-20-9
SMILES	`CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O`
InChIKey	`JHWZSCOGSYFEJR-MYXGOWFTSA-N`

📖 Product Overview

Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine (CAS: 52387-20-9) is a chemical compound with molecular formula C31H39N5O6 and molecular weight 577.7 g/mol. Its IUPAC systematic name is [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid. Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 577.29004 Heavy Atoms 42 Complexity 782.0 InChI Key: JHWZSCOGSYFEJR-MYXGOWFTSA-N. SMILES: CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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