(αR,2R,4S)-4-Carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic acid

CAS Registry Number®

42947-70-6

CAS Name

(αR,2R,4S)-4-Carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic acid

Molecular Formula

C19H19ClFN3O6S

Molecular Mass

471.89

Cite this Page

(αR,2R,4S)-4-Carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42947-70-6 (retrieved 2024-11-26) (CAS RN: 42947-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H19ClFN3O6S/c1-7-10(12(24-30-7)11-8(20)5-4-6-9(11)21)15(25)22-13(17(26)27)16-23-14(18(28)29)19(2,3)31-16/h4-6,13-14,16,23H,1-3H3,(H,22,25)(H,26,27)(H,28,29)/t13-,14-,16+/m0/s1

InChIKey

InChIKey=OYRPOONYKNQRKD-OFQRWUPVSA-N

SMILES

C(N[C@H](C(O)=O)[C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[H])(=O)C=2C(=NOC2C)C3=C(Cl)C=CC=C3F

Canonical SMILES

O=C(O)C(NC(=O)C=1C(=NOC1C)C=2C(F)=CC=CC2Cl)C3SC(C)(C)C(N3)C(=O)O

Other Names for this Substance

  • 2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, (αR,2R,4S)-
  • 2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, [2R-[2α(R*),4β]]-
  • (αR,2R,4S)-4-Carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic acid
  • (5R)-Flucloxacillin penicilloic acid

CAS INSIGHTSTM
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