U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H14F3N3O2S.C16H25NO2.ClH
Molecular Weight 681.208
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CELECOXIB TRAMADOL HYDROCHLORIDE CO-CRYSTAL

SMILES

Cl.COC1=CC=CC(=C1)[C@@]2(O)CCCC[C@@H]2CN(C)C.CC3=CC=C(C=C3)C4=CC(=NN4C5=CC=C(C=C5)S(N)(=O)=O)C(F)(F)F

InChI

InChIKey=HHXIXLAPQNFPGR-AAAYOKPCSA-N
InChI=1S/C17H14F3N3O2S.C16H25NO2.ClH/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h2-10H,1H3,(H2,21,24,25);6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t;14-,16+;/m.1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CELECOXIB TRAMADOL HYDROCHLORIDE CO-CRYSTAL
Common Name English
4-(5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-BENZENESULFONAMIDE, COMPOUND WITH (1RS,2RS)-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOL, HYDROCHLORIDE (1:1:1)
Systematic Name English
BENZENESULFONAMIDE, 4-(5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-, COMPD. WITH (1R,2R)-REL-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOL HYDROCHLORIDE (1:1:1)
Systematic Name English
E-58425 HYDROCHLORIDE
Common Name English
Code System Code Type Description
SMS_ID
300000041459
Created by admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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CAS
1221565-82-7
Created by admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
PRIMARY
FDA UNII
80FJ28572U
Created by admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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PUBCHEM
51050002
Created by admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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