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Details

Stereochemistry ACHIRAL
Molecular Formula C26H34N4O3S.2C4H4O4
Molecular Weight 714.782
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 10-(3-(4.BETA.-DIMETHYLCARBAMYLOXYETHYL-1-PIPERAZINYL)PROPYL)-2-ACETYLPHENOTHIAZINE DIMALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN(C)C(=O)OCCN1CCN(CCCN2C3=CC(=CC=C3SC4=C2C=CC=C4)C(C)=O)CC1

InChI

InChIKey=NZNAXBKCVUQWJH-SPIKMXEPSA-N
InChI=1S/C26H34N4O3S.2C4H4O4/c1-20(31)21-9-10-25-23(19-21)30(22-7-4-5-8-24(22)34-25)12-6-11-28-13-15-29(16-14-28)17-18-33-26(32)27(2)3;2*5-3(6)1-2-4(7)8/h4-5,7-10,19H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI

Molecular Formula C26H34N4O3S
Molecular Weight 482.638
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
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
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:36:47 UTC 2019
Edited
by admin
on Tue Oct 22 12:36:47 UTC 2019
Record UNII
T538NI0F92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-(3-(4.BETA.-DIMETHYLCARBAMYLOXYETHYL-1-PIPERAZINYL)PROPYL)-2-ACETYLPHENOTHIAZINE DIMALEATE
Systematic Name English
CARBAMIC ACID, DIMETHYL-, 2-(4-(3-(2-ACETYL-10H-PHENOTHIAZIN-10-YL)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, (2Z)-2-BUTENEDIOATE (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
31849
Created by admin on Tue Oct 22 12:36:47 UTC 2019 , Edited by admin on Tue Oct 22 12:36:47 UTC 2019
PRIMARY
CAS
23294-24-8
Created by admin on Tue Oct 22 12:36:47 UTC 2019 , Edited by admin on Tue Oct 22 12:36:47 UTC 2019
PRIMARY
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