Buprenorphine component OF alks-5461
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5- InChIKey
RMRJXGBAOAMLHD-CTAPUXPBSA-N- Molecular formula
- C29H41NO4
- Average molar mass
- 467.6 g/mol
Overview
See also: Buprenorphine (annotation moved to).
Names & identifiers
- Preferred name
- Buprenorphine component OF alks-5461
- IUPAC
- (1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Names & synonyms
SCHEMBL15820CHEMBL511142SCHEMBL29350495RMRJXGBAOAMLHD-CTAPUXPBSA-NBDBM50354578BUPRENORPHINE COMPONENT OF ALKS-5461
Database identifiers
- PubChem CID
- 9848990
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 869
Related reactions
15 records
Compound notes
Loading…