CELECOXIB TRAMADOL HYDROBROMIDE CO-CRYSTAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H14F3N3O2S.C16H25NO2.BrH
Molecular Weight	725.659
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CELECOXIB TRAMADOL HYDROBROMIDE CO-CRYSTAL

Structure Search

SMILES

Br.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=MULMQWNAYRBJKW-AAAYOKPCSA-N

InChI=1S/C17H14F3N3O2S.C16H25NO2.BrH/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 HYDROBROMIDE CO-CRYSTAL

Common Name

English

BENZENESULFONAMIDE, 4-(5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-, COMPD. WITH REL-(1R,2R)-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOL HYDROBROMIDE (1:1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613633

Created by admin on Sat Dec 16 15:34:05 UTC 2023 , Edited by admin on Sat Dec 16 15:34:05 UTC 2023

PRIMARY

FDA UNII

EFC42N2AU4

Created by admin on Sat Dec 16 15:34:05 UTC 2023 , Edited by admin on Sat Dec 16 15:34:05 UTC 2023

PRIMARY

CAS