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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H26N4S2.2C4H4O4
Molecular Weight 582.689
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PERATIZOLE HYDROGEN MALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC1=NC(C)=C(CCCCN2CCN(CC2)C3=NC(C)=CS3)S1

InChI

InChIKey=XTAMWKMFVOFXOC-SPIKMXEPSA-N
InChI=1S/C17H26N4S2.2C4H4O4/c1-13-12-22-17(18-13)21-10-8-20(9-11-21)7-5-4-6-16-14(2)19-15(3)23-16;2*5-3(6)1-2-4(7)8/h12H,4-11H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI

Molecular Formula C17H26N4S2
Molecular Weight 350.545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:58:15 UTC 2023
Edited
by admin
on Fri Dec 15 18:58:15 UTC 2023
Record UNII
52G3OE1G9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERATIZOLE HYDROGEN MALEATE
Common Name English
PIPERAZINE, 1-(4-(2,4-DIMETHYL-5-THIAZOLYL)BUTYL)-4-(4-METHYL-2-THIAZOLYL)-, MALEATE (1:2)
Systematic Name English
PIPERAZINE, 1-(4-(2,4-DIMETHYL-5-THIAZOLYL)BUTYL)-4-(4-METHYL-2-THIAZOLYL)-, (2Z)-2-BUTENEDIOATE (1:2)
Systematic Name English
EMD 19698
Code English
PIPERAZINE, 1-(4-(2,4-DIMETHYL-5-THIAZOLYL)BUTYL)-4-(4-METHYL-2-THIAZOLYL)-, (Z)-2-BUTENEDIOATE (1:2)
Systematic Name English
EMD-19698
Code English
Code System Code Type Description
PUBCHEM
71587101
Created by admin on Fri Dec 15 18:58:16 UTC 2023 , Edited by admin on Fri Dec 15 18:58:16 UTC 2023
PRIMARY
CAS
29953-55-7
Created by admin on Fri Dec 15 18:58:16 UTC 2023 , Edited by admin on Fri Dec 15 18:58:16 UTC 2023
PRIMARY
FDA UNII
52G3OE1G9I
Created by admin on Fri Dec 15 18:58:16 UTC 2023 , Edited by admin on Fri Dec 15 18:58:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY