5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate, [6R-[6α,7β(R*)]]-
CAS Registry Number®
22202-75-1
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CAS Name
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate, [6R-[6α,7β(R*)]]-Molecular Formula
C18H19N3O6S.2H2OCite this Page
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate, [6R-[6α,7β(R*)]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=22202-75-1 (retrieved ) (CAS RN: 22202-75-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H19N3O6S.2H2O/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10;;/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26);2*1H2/t12-,13-,17-;;/m1../s1
InChIKey
InChIKey=KURFSUDYQUKEJZ-SBMYYUOMSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C2=O)(SCC1COC(C)=O)[H].O
Canonical SMILES
O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(N)C=3C=CC=CC3.O
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate, [6R-[6α,7β(R*)]]-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), dihydrate
- Cephaloglycin dihydrate
