BIAdb 10-alpha-S-glutathionylmorphine 1004

BIAdb 10-alpha-S-glutathionylmorphine 1004
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5491239
Chemical data
Formula	C₂₇H₃₄N₄O₉S
Mol. mass	590.64526
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

590.64526

*Exact Mass

590.204649

*Molecular Formula

C₂₇H₃₄N₄O₉S

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C1C(C5=C2C(=C(C=C5)O)OC3C(C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

*Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1C(C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

*XLogP

-5.5

*Hydrogen bond donor

7

*Hydrogen bond acceptor

11

*Rotational Bond Count

11

*Topological Polar Surface Area

212