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

Details

Stereochemistry RACEMIC
Molecular Formula C21H26ClN3O2.2ClH
Molecular Weight 460.825
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORMETACRINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CCN(CC)CC(O)CNC1=C2C=CC(Cl)=CC2=NC3=C1C=C(OC)C=C3

InChI

InChIKey=WICHWAQPBSHNKF-UHFFFAOYSA-N
InChI=1S/C21H26ClN3O2.2ClH/c1-4-25(5-2)13-15(26)12-23-21-17-8-6-14(22)10-20(17)24-19-9-7-16(27-3)11-18(19)21;;/h6-11,15,26H,4-5,12-13H2,1-3H3,(H,23,24);2*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 C21H26ClN3O2
Molecular Weight 387.903
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:55:35 GMT 2023
Edited
by admin
on Sat Dec 16 01:55:35 GMT 2023
Record UNII
59JY3H734T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORMETACRINE DIHYDROCHLORIDE
MI  
Common Name English
CHLORMETACRINE DIHYDROCHLORIDE [MI]
Common Name English
ACRANIL DIHYDROCHLORIDE
Common Name English
SKF-16214A2
Code English
NSC-11515
Code English
ACRANIL HYDROCHLORIDE
Common Name English
SKF-16214-A2
Code English
NSC-409931
Code English
SKF 16214A2
Code English
SN-186
Code English
1-((6-CHLORO-2-METHOXY-9-ACRIDINYL)AMINO)-3-(DIETHYLAMINO)-2-PROPANOL DIHYDROCHLORIDE
Systematic Name English
2-PROPANOL, 1-((6-CHLORO-2-METHOXY-9-ACRIDINYL)AMINO)-3-(DIETHYLAMINO)-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
NSC
11515
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
NSC
409931
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-868-0
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
FDA UNII
59JY3H734T
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
MERCK INDEX
m1000
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY Merck Index
PUBCHEM
159626
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
CAS
1684-42-0
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
MESH
C006397
Created by admin on Sat Dec 16 01:55:35 GMT 2023 , Edited by admin on Sat Dec 16 01:55:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE