Catalog Number:
AG00BF29
Chemical Name:
AVE 0991 Sodium
CAS Number:
306288-04-0
Molecular Formula:
C29H31N4NaO5S2
Molecular Weight:
602.7000
MDL Number:
MFCD28167715
IUPAC Name:
sodium;ethylcarbamoyl-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylazanide
InChI:
InChI=1S/C29H32N4O5S2.Na/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22;/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35);/q;+1/p-1
InChI Key:
GABSTAFOMFJFOI-UHFFFAOYSA-M
SMILES:
CCNC(=O)[N-]S(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C.[Na+]
