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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H31BrN4O6S2
Molecular Weight 555.507
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-506 Active metabolite

SMILES

CCN1CCN(CC1)C(=O)C2=C(N)C=C(C(=C2)N(CCBr)CCOS(C)(=O)=O)S(C)(=O)=O

InChI

InChIKey=QRDMUXRKWHILIP-UHFFFAOYSA-N
InChI=1S/C19H31BrN4O6S2/c1-4-22-7-9-24(10-8-22)19(25)15-13-17(18(14-16(15)21)31(2,26)27)23(6-5-20)11-12-30-32(3,28)29/h13-14H,4-12,21H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methanone, [2-amino-5-[(2-bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-4-(methylsulfonyl)phenyl](4-ethyl-1-piperazinyl)-
Preferred Name English
CP-506 Active metabolite
Code English
[2-Amino-5-[(2-bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-4-(methylsulfonyl)phenyl](4-ethyl-1-piperazinyl)methanone
Systematic Name English
Code System Code Type Description
FDA UNII
AQ58EH4HG9
Created by admin on Wed Apr 02 21:00:22 GMT 2025 , Edited by admin on Wed Apr 02 21:00:22 GMT 2025
PRIMARY
CAS
2392070-46-9
Created by admin on Wed Apr 02 21:00:22 GMT 2025 , Edited by admin on Wed Apr 02 21:00:22 GMT 2025
PRIMARY
PUBCHEM
169490939
Created by admin on Wed Apr 02 21:00:22 GMT 2025 , Edited by admin on Wed Apr 02 21:00:22 GMT 2025
PRIMARY
PARENT (METABOLITE ACTIVE)
Structure of CP-506
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966