Basic information
- CAS
795-38-0- Standard SMILES
COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
RBOXVHNMENFORY-KEMUOJQUSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Overview
See also: Aspirin; Caffeine; Dihydrocodeine Bitartrate (annotation moved to); Dihydrocodeine (annotation moved to); Dihydrocodeine Bitartrate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- (5alpha,6beta)-4,5-Epoxy-3-methoxy-17-methylmorphinan-6-ol
- IUPAC
- (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
- English name
- (-)-Dihydroisocodeine
- Molecular formula
- C18H23NO3
- Molecular weight
- 301.38
Names & synonyms
DihydroisocodeineDHIC795-38-0(-)-Dihydroisocodeine6beta-Hydrocodolbeta-HydrocodolDTXSID20489079H2016E13HDTXCID9028833RefChem:1050604(5alpha,6beta)-4,5-Epoxy-3-methoxy-17-methylmorphinan-6-olb-Hydrocodol
Show more names
β-Hydrocodol6β-Hydrocodol6-Hydrocodol (CRM)6β-Hydrocodol (CRM)4,5α-Epoxy-3-methoxy-17-methylmorphinan-6β-ol
(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-olParacodinIsocodeine, dihydro-UNII-9H2016E13HNCGC00247336-02.BETA.-HYDROCODOL6.BETA.-HYDROCODOL6-.BETA.-HYDROCODOL
Database identifiers
- CAS
795-38-0- PubChem CID
- 5492898
- DTXSID
DTXSID2048907- ChEMBL
CHEMBL3187185- UNII
- 9H2016E13H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 199 · 199-200°
- solubility
- Chloroform (Slightly, Sonicated), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 9 H2016E13H · 9H2016E13H
Chemistry & industry
Applications
Usesb-Hydrocodol is a metabolite of Dihydrocodeine Phosphate (D448850), an analgesics. b-Hydrocodol can be used as a reference standard.
Suppliers3 total
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
1 records
Compound notes
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