Basic information
- CAS
65511-42-4- Standard SMILES
CC(=O)Oc1cc(OC(C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2.Cl- InChIKey
NSOGAHPJIFTUHV-DVTLTWPTSA-N- Molecular formula
- C27H36ClNO4
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.2332863
Overview
See also: Nantradol (has active moiety).
Names & identifiers
- Preferred name
- Nantradol Hydrochloride
- IUPAC
- [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate;hydrochloride
- English name
- Nantradol
- Molecular formula
- C27H36ClNO4
- Molecular weight
- 474.04
Names & synonyms
NANTRADOL HYDROCHLORIDENantradol HCl65511-42-4CVN9D598JLCP-44001-1CP-44,001-1CP-4400111,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, hydrochlorideRefChem:164541Nantradol hydrochloride [USAN][(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate;hydrochlorideNantradol hydrochloride (USAN)
Show more names
UM1159MCV4161UM-1159MCV-4161
MCV 4161UNII-CVN9D598JLNIH 9513NIH 9596UM 1159CP 44001-1SCHEMBL120130CHEMBL2106792
Database identifiers
- CAS
65511-42-4- PubChem CID
- 47652
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- FDA UNII
- 9 D598JL · CVN9D598JL
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Drugs used to prevent NAUSEA or VOMITING.
Applications
UsesAnalgesic.
Suppliers2 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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