Basic information
- CAS
21040-59-5- Standard SMILES
COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(C)CC2- InChIKey
OKORHWXYDBSYNO-UHFFFAOYSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Overview
(+/-)-codamine has been reported in Papaver somniferum and Polyalthia with data available.
Names & identifiers
- Preferred name
- dl-Codamine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- English name
- 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoq uinolin-7-ol
- Molecular formula
- C20H25NO4
- Molecular weight
- 343.42
Names & synonyms
5977-85-5dl-Codamine1-(3,4-Dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol(+/-)-CodamineCodamine, DL-Codamine, (RS)-Codamine DL-form [MI]Codamine, (+/-)-NSC-127489UNII-5D6TH19ZX4(S)-Codamine5D6TH19ZX4
Show more names
7-Isoquinolinol, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-
(.+-.)-Codamine1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinol1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol7-Isoquinolinol, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoq uinolin-7-olKodaminNSC127489Codamine, (.+-.)-
Database identifiers
- CAS
21040-59-5、5977-85-5- PubChem CID
- 89421
- UNII
- 5D6TH19ZX4
- Nikkaji
- J1.990.552G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Experimental & physicochemical properties
Melting Point126 - 127 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 483.4 · 483.4±45.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.40(Predicted)
- FDA UNII
- 5 D6TH19ZX4 · 5D6TH19ZX4
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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