Pseudomorphine, tartrate
Basic information
- CAS
49720-69-6- Standard SMILES
CN1CCC23c4c5cc(-c6cc7c8c(c6O)OC6C(O)C=CC9C(C7)N(C)CCC896)c(O)c4OC2C(O)C=CC3C1C5.O=C(O)C(O)C(O)C(=O)O- InChIKey
JUBKRMDVUIPBKS-UHFFFAOYSA-N- Molecular formula
- C38H42N2O12
- Average molar mass
- 718.7 g/mol
- Monoisotopic mass
- 718.27377478
Names & identifiers
- Preferred name
- Pseudomorphine, tartrate
- IUPAC
- 2,3-dihydroxybutanedioic acid;10-(7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Names & synonyms
NSC3469549720-69-6Pseudomorphine, tartratePseudomorphine tartratePSEUDOMORPHINE, TRIHYDRATEDTXSID00964370NSC-346952,3-dihydroxybutanedioic acid; [dihydroxy(methyl)[?]yl]-methyl-[?]diol2,3-Dihydroxybutanedioic acid--2-(3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-2-yl)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (1/1)Morphinan-3,6-diol, 7,8-didehydro-2-(7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-2-yl)-4,5-epoxy-17-methyl-, 2,3-dihydroxybutanedioate (1:1) (salt)
Database identifiers
- CAS
49720-69-6- PubChem CID
- 234569
- DTXSID
DTXSID00964370
Properties
Computed structural properties
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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