Cyclazocine, (+)-
Basic information
- CAS
63903-61-7- Standard SMILES
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1- InChIKey
YQYVFVRQLZMJKJ-UUWFMWQGSA-N- Molecular formula
- C18H25NO
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.19361442
Names & identifiers
- Preferred name
- Cyclazocine, (+)-
- IUPAC
- (1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
- English name
- (+)-Cyclazocine
- Molecular formula
- C18H25NO
- Molecular weight
- 271.4
Names & synonyms
(+)-Cyclazocine7313-87-3Cyclazocine, (+)-d-Cyclazocine(+)-cis-CyclazocineRIH052ANA4DTXSID1049011(+)-alpha-CyclazocineMCV-4511NIH-10449UNII-RIH052ANA4CHEMBL293349
Show more names
MCV 4511NIH 10449
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol(2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2S,6S,11S)-Cyclazocine (+)CYCLAZOCINE (-)NCGC00093797-03Lopac-C-147DTXCID2028937
Database identifiers
- CAS
63903-61-7、7313-87-3- PubChem CID
- 6603759
- DTXSID
DTXSID1049011- ChEMBL
CHEMBL293349- UNII
- RIH052ANA4
- Nikkaji
- J1.232.830C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- FDA UNII
- 52 ANA4 · RIH052ANA4
Chemistry & industry
Applications
UsesCyclazocine is a mu opioid antagonist and kappa opioid agonist; it blocks the dopamine response to nicotine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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