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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N4O2.2ClH
Molecular Weight 449.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-16020 DIHYDROCHLORIDE

SMILES

Cl.Cl.CN(C)CCNC(=O)C1=NC=CC2=C(C)C3=C(C=C12)C4=C(C=CC(O)=C4)N3C

InChI

InChIKey=DSJBVXJNKBKZSB-UHFFFAOYSA-N
InChI=1S/C22H24N4O2.2ClH/c1-13-15-7-8-23-20(22(28)24-9-10-25(2)3)17(15)12-18-16-11-14(27)5-6-19(16)26(4)21(13)18;;/h5-8,11-12,27H,9-10H2,1-4H3,(H,24,28);2*1H

HIDE SMILES / InChI

Molecular Formula C22H24N4O2
Molecular Weight 376.4516
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:38:19 GMT 2023
Edited
by admin
on Sat Dec 16 10:38:19 GMT 2023
Record UNII
V5OUA69EM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-16020 DIHYDROCHLORIDE
Common Name English
NSC-659687
Code English
S-16020-2
Code English
S 16020-2
Code English
Code System Code Type Description
PUBCHEM
177329
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID60170430
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
NSC
659687
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
CAS
178169-99-8
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
FDA UNII
V5OUA69EM7
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE