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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=CC(N(CCBr)CCOS(C)(=O)=O)=C(C=C2N)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

Molecular Formula C19H31BrN4O6S2
Molecular Weight 555.507
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 20:22:51 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:51 GMT 2023
Record UNII
AQ58EH4HG9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-506 Active metabolite
Code English
Methanone, [2-amino-5-[(2-bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-4-(methylsulfonyl)phenyl](4-ethyl-1-piperazinyl)-
Systematic Name 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 Sat Dec 16 20:22:52 GMT 2023 , Edited by admin on Sat Dec 16 20:22:52 GMT 2023
PRIMARY
CAS
2392070-46-9
Created by admin on Sat Dec 16 20:22:52 GMT 2023 , Edited by admin on Sat Dec 16 20:22:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE