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Home > Nitro Compounds > 442847-66-7
442847-66-7 | Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate)
CAS No: 442847-66-7 Catalog No: AG01DQ7W MDL No:MFCD20922853
Product Description
Catalog Number:
AG01DQ7W
Chemical Name:
Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate)
CAS Number:
442847-66-7
MDL Number:
MFCD20922853
IUPAC Name:
1-methylpyrrolidin-2-one;(4-nitrophenyl)methyl (5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;hydrochloride
InChI:
InChI=1S/C18H21N3O6S.C5H9NO.ClH/c1-10(22)15-13-8-14(28-7-6-19)16(20(13)17(15)23)18(24)27-9-11-2-4-12(5-3-11)21(25)26;1-6-4-2-3-5(6)7;/h2-5,10,13,15,22H,6-9,19H2,1H3;2-4H2,1H3;1H/t10-,13-,15-;;/m1../s1
InChI Key:
RISUKBNXUNVOJK-OSSMXLPMSA-N
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
542.16g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
543.032g/mol
Monoisotopic Mass:
542.16g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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