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Details

Stereochemistry ACHIRAL
Molecular Formula C28H23ClF3N2O6S.Na
Molecular Weight 630.995
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-199330 SODIUM

SMILES

[Na+].COC1=CC=C([N-]S(=O)(=O)C(F)(F)F)C=C1C[C@@H]2COC3=CC=C(OCC4=NC5=CC(Cl)=CC=C5C=C4)C=C3[C@@H]2O

InChI

InChIKey=FZCWCSNKAGYOMQ-AGCLSPCYSA-N
InChI=1S/C28H23ClF3N2O6S.Na/c1-38-25-8-6-20(34-41(36,37)28(30,31)32)11-17(25)10-18-14-40-26-9-7-22(13-23(26)27(18)35)39-15-21-5-3-16-2-4-19(29)12-24(16)33-21;/h2-9,11-13,18,27,35H,10,14-15H2,1H3;/q-1;+1/t18-,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C28H23ClF3N2O6S
Molecular Weight 608.005
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:16 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:16 GMT 2023
Record UNII
74573Q728X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-199330 SODIUM
Common Name English
CP-199330 MONOSODIUM SALT
Common Name English
METHANESULFONAMIDE, N-(3-((6-((7-CHLORO-2-QUINOLINYL)METHOXY)-3,4-DIHYDRO-4-HYDROXY-2H-1-BENZOPYRAN-3-YL)METHYL)-4-METHOXYPHENYL)-1,1,1-TRIFLUORO-, MONOSODIUM SALT, (3R-CIS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941705
Created by admin on Sat Dec 16 09:23:16 GMT 2023 , Edited by admin on Sat Dec 16 09:23:16 GMT 2023
PRIMARY
CAS
158102-98-8
Created by admin on Sat Dec 16 09:23:16 GMT 2023 , Edited by admin on Sat Dec 16 09:23:16 GMT 2023
PRIMARY
FDA UNII
74573Q728X
Created by admin on Sat Dec 16 09:23:16 GMT 2023 , Edited by admin on Sat Dec 16 09:23:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY