BIAdb Buprenorphine-3-O-glucuronide 1646

BIAdb Buprenorphine-3-O-glucuronide 1646
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	127780
Chemical data
Formula	C₃₅H₄₉NO₁₀
Mol. mass	643.76426
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

643.76426

*Exact Mass

643.335647

*Molecular Formula

C₃₅H₄₉NO₁₀

*IUPAC NAME

N/A

*Canonical Smiles

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=CC(=CC(=C56)O4)OC7C(C(C(C(O7)C(=O)O)O)O)O)CC8CC8)OC)O

*Isomeric Smiles

C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=CC(=CC(=C56)O4)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)CC8CC8)OC)(C(C)(C)C)O

*XLogP

1.1

*Hydrogen bond donor

5

*Hydrogen bond acceptor

11

*Rotational Bond Count

8

*Topological Polar Surface Area

158