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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22Cl2N4O2
Molecular Weight 349.256
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIBIOTIC 593A

SMILES

[H][C@@]1(CC[C@H](Cl)CN1)[C@]2([H])NC(=O)[C@@]([H])(NC2=O)[C@@]3([H])CC[C@H](Cl)CN3

InChI

InChIKey=GVATXFBCMPDLPO-URIQBSJHSA-N
InChI=1S/C14H22Cl2N4O2/c15-7-1-3-9(17-5-7)11-13(21)20-12(14(22)19-11)10-4-2-8(16)6-18-10/h7-12,17-18H,1-6H2,(H,19,22)(H,20,21)/t7-,8-,9+,10+,11-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H22Cl2N4O2
Molecular Weight 349.256
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:41 GMT 2023
Record UNII
67QQU5F3BL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIBIOTIC 593A
Common Name English
3,6-BIS(5-CHLORO-2-PIPERIDYL)-2,5-PIPERAZINEDIONE
Systematic Name English
DKP-593A
Common Name English
(3S,6S)-3,6-BIS((2R,5S)-5-CHLORO-2-PIPERIDINYL)-2,5-PIPERAZINEDIONE
Systematic Name English
Code System Code Type Description
CAS
64474-15-3
Created by admin on Sat Dec 16 09:55:41 GMT 2023 , Edited by admin on Sat Dec 16 09:55:41 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
41871-93-6
Created by admin on Sat Dec 16 09:55:41 GMT 2023 , Edited by admin on Sat Dec 16 09:55:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID60983047
Created by admin on Sat Dec 16 09:55:41 GMT 2023 , Edited by admin on Sat Dec 16 09:55:41 GMT 2023
PRIMARY
PUBCHEM
5458277
Created by admin on Sat Dec 16 09:55:42 GMT 2023 , Edited by admin on Sat Dec 16 09:55:42 GMT 2023
PRIMARY
FDA UNII
67QQU5F3BL
Created by admin on Sat Dec 16 09:55:41 GMT 2023 , Edited by admin on Sat Dec 16 09:55:41 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY