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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18ClN3S.C4H4O4
Molecular Weight 411.903
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLOROTHEN MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCN(CC1=CC=C(Cl)S1)C2=CC=CC=N2

InChI

InChIKey=FLADJTVUJJAXLB-BTJKTKAUSA-N
InChI=1S/C14H18ClN3S.C4H4O4/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12;5-3(6)1-2-4(7)8/h3-8H,9-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C14H18ClN3S
Molecular Weight 295.831
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 19:12:08 UTC 2019
Edited
by admin
on Tue Oct 22 19:12:08 UTC 2019
Record UNII
65L0ZZ5ZA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROTHEN MALEATE
VANDF  
Common Name English
1,2-ETHANEDIAMINE, N1-((5-CHLORO-2-THIENYL)METHYL)-N2,N2-DIMETHYL-N1-2-PYRIDINYL-, MALEATE
Systematic Name English
CHLOROTHEN MALEATE [VANDF]
Common Name English
Code System Code Type Description
PUBCHEM
76958201
Created by admin on Tue Oct 22 19:12:08 UTC 2019 , Edited by admin on Tue Oct 22 19:12:08 UTC 2019
PRIMARY
Related Record Type Details
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