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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26ClN3OS.2C4H6O6
Molecular Weight 704.142
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERPHENAZINE DITARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.OCCN1CCN(CCCN2C3=CC=CC=C3SC4=C2C=C(Cl)C=C4)CC1

InChI

InChIKey=WUOVZIPBXRJHSP-WBPXWQEISA-N
InChI=1S/C21H26ClN3OS.2C4H6O6/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;2*5-1(3(7)8)2(6)4(9)10/h1-2,4-7,16,26H,3,8-15H2;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.11/s1

HIDE SMILES / InChI

Molecular Formula C21H26ClN3OS
Molecular Weight 403.969
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:41:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:41:13 UTC 2023
Record UNII
QRT558O0S8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERPHENAZINE DITARTRATE
Common Name English
1-PIPERAZINEETHANOL, 4-(3-(2-CHLOROPHENOTHIAZIN-10-YL)PROPYL)-, TARTRATE
Systematic Name English
Code System Code Type Description
CAS
21256-75-7
Created by admin on Sat Dec 16 09:41:13 UTC 2023 , Edited by admin on Sat Dec 16 09:41:13 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CAS
103530-81-0
Created by admin on Sat Dec 16 09:41:13 UTC 2023 , Edited by admin on Sat Dec 16 09:41:13 UTC 2023
PRIMARY
PUBCHEM
91864474
Created by admin on Sat Dec 16 09:41:13 UTC 2023 , Edited by admin on Sat Dec 16 09:41:13 UTC 2023
PRIMARY
FDA UNII
QRT558O0S8
Created by admin on Sat Dec 16 09:41:13 UTC 2023 , Edited by admin on Sat Dec 16 09:41:13 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY