BIAdb Buprenorphine 1645

BIAdb Buprenorphine 1645
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	11969480
Chemical data
Formula	C₂₉H₄₂ClNO₄
Mol. mass	504.10108
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Derivative of thebaine

Delta Antagonist

*Molecular Weight

504.10108

*Exact Mass

503.280237

*Molecular Formula

C₂₉H₄₂ClNO₄

*IUPAC NAME

N/A

*Canonical Smiles

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl

*Isomeric Smiles

C[C@]([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl

*XLogP

N/A

*Hydrogen bond donor

3

*Hydrogen bond acceptor

5

*Rotational Bond Count

5

*Topological Polar Surface Area

62.2