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Details

Stereochemistry ACHIRAL
Molecular Formula C24H28ClN3OS.2C4H4O4
Molecular Weight 674.161
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of CLOTHIXAMIDE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CNC(=O)CCN1CCN(CCC=C2C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1

InChI

InChIKey=PDAUESICMCKTDM-SPIKMXEPSA-N
InChI=1S/C24H28ClN3OS.2C4H4O4/c1-26-24(29)10-12-28-15-13-27(14-16-28)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23;2*5-3(6)1-2-4(7)8/h2-3,5-9,17H,4,10-16H2,1H3,(H,26,29);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI
Name Type Language
CLOTHIXAMIDE MALEATE
USAN  
USAN  
Official Name English
1-PIPERAZINEPROPANAMIDE, 4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-N-METHYL-, (Z)-2-BUTENEDIOATE (1:2)
Systematic Name English
P-4385B
Code English
CLOTHIXAMIDE MALEATE [USAN]
Common Name English
NSC-78714
Code English
4-(3-(2-CHLOROTHIOXANTHEN-9-YLIDENE)PROPYL)-N-METHYL-1-PIPERAZINEPROPIONAMIDE MALEATE (1:2)
Systematic Name English
Code System Code Type Description
CAS
4434-20-2
Created by admin on Tue Mar 06 17:15:51 UTC 2018 , Edited by admin on Tue Mar 06 17:15:51 UTC 2018
PRIMARY
ChEMBL
CHEMBL2110894
Created by admin on Tue Mar 06 17:15:51 UTC 2018 , Edited by admin on Tue Mar 06 17:15:51 UTC 2018
PRIMARY
NCI_THESAURUS
C81586
Created by admin on Tue Mar 06 17:15:51 UTC 2018 , Edited by admin on Tue Mar 06 17:15:51 UTC 2018
PRIMARY
PUBCHEM
76972759
Created by admin on Tue Mar 06 17:15:51 UTC 2018 , Edited by admin on Tue Mar 06 17:15:51 UTC 2018
PRIMARY SWITZERF