Catalog Number:
AG001MVQ
Chemical Name:
Benzamide, N-[4-oxo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-, hydrate (2:1)
CAS Number:
150821-03-7
Molecular Formula:
C54H48N10O9
Molecular Weight:
981.0205
MDL Number:
MFCD00864631
IUPAC Name:
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide;hydrate
InChI:
InChI=1S/2C27H23N5O4.H2O/c2*33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18;/h2*1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32);1H2
InChI Key:
MSXTUBJFNBZPGC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1nn[nH]n1.O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1nn[nH]n1.O
UNII:
FR702N558K
