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Details

Stereochemistry RACEMIC
Molecular Formula C16H26ClN3O3S.ClH
Molecular Weight 412.375
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ML-1035

SMILES

Cl.CCN(CC)CCNC(=O)C1=C(OCC[S+](C)[O-])C=C(N)C(Cl)=C1

InChI

InChIKey=KDAXHUZRHLYZML-UHFFFAOYSA-N
InChI=1S/C16H26ClN3O3S.ClH/c1-4-20(5-2)7-6-19-16(21)12-10-13(17)14(18)11-15(12)23-8-9-24(3)22;/h10-11H,4-9,18H2,1-3H3,(H,19,21);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H26ClN3O3S
Molecular Weight 375.914
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 21:46:02 GMT 2025
Edited
by admin
on Tue Apr 01 21:46:02 GMT 2025
Record UNII
0FS25VJT2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-201035
Preferred Name English
ML-1035
Code English
BENZAMIDE, 4-AMINO-5-CHLORO-N-(2-(DIETHYLAMINO)ETHYL)-2-(2-(METHYLSULFINYL)ETHOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
9822946
Created by admin on Tue Apr 01 21:46:02 GMT 2025 , Edited by admin on Tue Apr 01 21:46:02 GMT 2025
PRIMARY
FDA UNII
0FS25VJT2N
Created by admin on Tue Apr 01 21:46:02 GMT 2025 , Edited by admin on Tue Apr 01 21:46:02 GMT 2025
PRIMARY
CAS
125557-35-9
Created by admin on Tue Apr 01 21:46:02 GMT 2025 , Edited by admin on Tue Apr 01 21:46:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE