BIAdb Norbuprenorphine 2797

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BIAdb Norbuprenorphine 2797
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	114976
Chemical data
Formula	C₂₅H₃₅NO₄
Mol. mass	413.5497
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Metabolite of buprenorphine

Unknown

*Molecular Weight

413.5497

*Exact Mass

413.256609

*Molecular Formula

C₂₅H₃₅NO₄

*IUPAC NAME

N/A

*Canonical Smiles

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)O)O4)OC)O

*Isomeric Smiles

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

*XLogP

3.8

*Hydrogen bond donor

3

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

71