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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23F2N5O2.C7H8O3S
Molecular Weight 623.67
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PULRODEMSTAT TOSYLATE

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COC2=CC=C(C=C2F)C3=C(N=C(N4CCC(N)CC4)N(C)C3=O)C5=CC=C(C#N)C(F)=C5

InChI

InChIKey=OZZFOHIBJFKYLY-UHFFFAOYSA-N
InChI=1S/C24H23F2N5O2.C7H8O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11-12,17H,7-10,28H2,1-2H3;2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C24H23F2N5O2
Molecular Weight 451.4685
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:25:55 GMT 2025
Edited
by admin
on Wed Apr 02 10:25:55 GMT 2025
Record UNII
496P6HY485
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZONITRILE, 4-(2-(4-AMINO-1-PIPERIDINYL)-5-(3-FLUORO-4-METHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-6-OXO-4-PYRIMIDINYL)-2-FLUORO-, 4-METHYLBENZENESULFONATE (1:1)
Preferred Name English
PULRODEMSTAT TOSYLATE
Common Name English
Code System Code Type Description
FDA UNII
496P6HY485
Created by admin on Wed Apr 02 10:25:55 GMT 2025 , Edited by admin on Wed Apr 02 10:25:55 GMT 2025
PRIMARY
PUBCHEM
139600313
Created by admin on Wed Apr 02 10:25:55 GMT 2025 , Edited by admin on Wed Apr 02 10:25:55 GMT 2025
PRIMARY
CAS
2097523-57-2
Created by admin on Wed Apr 02 10:25:55 GMT 2025 , Edited by admin on Wed Apr 02 10:25:55 GMT 2025
PRIMARY
SMS_ID
300000040277
Created by admin on Wed Apr 02 10:25:55 GMT 2025 , Edited by admin on Wed Apr 02 10:25:55 GMT 2025
PRIMARY
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