cetraxate
Chemical Formula:
C17H23NO4
Molecular Weight:
305.373 Daltons
Monoisotopic Mass:
306.170533264 Daltons
SMILES:
C1(CC(CCC(C[N+])1)C(=O)OC2(=CC=C(C=C2)CCC(=O)[O-]))
InChI:
1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13?,14-
InChIKey:
Databases
MetaCyc:
CETRAXATE
MetaboLights:
MTBLC58112
ChEBI:
58112
PubChem (CID):
25201854
KEGG:
C01564
CAS:
34675-84-8
Seed:
cpd01102
MetaNetX:
MNXM4517