Buprenorphine-3-O-glucuronide

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Buprenorphine-3-O-glucuronide
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

RN given refers to (5alpha,7alpha-(S))-isomer

*Molecular Weight

643.76426

*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

CC(C)(C)[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)O

*XLogP

2.5

*Topological Polar Surface Area

158