Chemical identity

Descyclopropylmethyl Firocoxib

CAS 189955-89-3 · C13H14O5S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-12363
PubChem CID15542204
NameDescyclopropylmethyl Firocoxib
CAS RN189955-89-3
Molecular formulaC13H14O5S
Molecular weight282.3 g/mol
IUPAC name3-Hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
InChIKeyWIPWTSYHKQQKJC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 15542204
2D structure: Descyclopropylmethyl Firocoxib, CAS 189955-89-3
Structure of Descyclopropylmethyl Firocoxib (CAS 189955-89-3). LazyChem record. Source identity: PubChem CID 15542204. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H14O5S
InChIKeyWIPWTSYHKQQKJC-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=C1OC(C)(C)C(C2=CC=C(S(=O)(C)=O)C=C2)=C1O
InChIInChI=1S/C13H14O5S/c1-13(2)10(11(14)12(15)18-13)8-4-6-9(7-5-8)19(3,16)17/h4-7,14H,1-3H3

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 189955-89-3 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 189955-89-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Firocoxib

View API and impurity family

Other names

  • 3-hydroxy-5, 5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
  • 5, 5-dimethyl-3-hydroxy-4-(4-methylsulfonylphenyl)-5h-furan-2-one

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources