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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23F2N5O2.C6H6O3S
Molecular Weight 609.644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PULRODEMSTAT BESILATE

SMILES

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

InChI

InChIKey=AWZCBGWZNHQCIZ-UHFFFAOYSA-N
InChI=1S/C24H23F2N5O2.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h3-6,11-12,17H,7-10,28H2,1-2H3;1-5H,(H,7,8,9)

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 C6H6O3S
Molecular Weight 158.175
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 Sat Dec 16 15:08:54 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:54 UTC 2023
Record UNII
LH20W7B0Q8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PULRODEMSTAT BESILATE
Common Name English
CC 90011 [WHO-DD]
Common Name English
CC-90011
Code English
BENZONITRILE, 4-(2-(4-AMINO-1-PIPERIDINYL)-5-(3-FLUORO-4-METHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-6-OXO-4-PYRIMIDINYL)-2-FLUORO-, BENZENESULFONATE (1:1)
Systematic Name English
CC90011
Code English
PULRODEMSTAT BENZENESULFONATE
Common Name English
Code System Code Type Description
SMS_ID
300000011555
Created by admin on Sat Dec 16 15:08:54 UTC 2023 , Edited by admin on Sat Dec 16 15:08:54 UTC 2023
PRIMARY
CAS
2097523-60-7
Created by admin on Sat Dec 16 15:08:54 UTC 2023 , Edited by admin on Sat Dec 16 15:08:54 UTC 2023
PRIMARY
PUBCHEM
129096972
Created by admin on Sat Dec 16 15:08:54 UTC 2023 , Edited by admin on Sat Dec 16 15:08:54 UTC 2023
PRIMARY
FDA UNII
LH20W7B0Q8
Created by admin on Sat Dec 16 15:08:54 UTC 2023 , Edited by admin on Sat Dec 16 15:08:54 UTC 2023
PRIMARY
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ACTIVE MOIETY