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Details

Stereochemistry RACEMIC
Molecular Formula C13H13N3O5
Molecular Weight 291.2594
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CC-8017

SMILES

NC(=O)CCC(N1C(=O)C2=C(C1=O)C(N)=CC=C2)C(O)=O

InChI

InChIKey=XSKMMEVRGHPMSJ-UHFFFAOYSA-N
InChI=1S/C13H13N3O5/c14-7-3-1-2-6-10(7)12(19)16(11(6)18)8(13(20)21)4-5-9(15)17/h1-3,8H,4-5,14H2,(H2,15,17)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C13H13N3O5
Molecular Weight 291.2594
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 09:16:29 UTC 2023
Edited
by admin
on Sat Dec 16 09:16:29 UTC 2023
Record UNII
1XS9W611WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CC-8017
Common Name English
2H-ISOINDOLE-2-ACETIC ACID, 4-AMINO-.ALPHA.-(3-AMINO-3-OXOPROPYL)-1,3-DIHYDRO-1,3-DIOXO-, (±)-
Systematic Name English
2H-ISOINDOLE-2-ACETIC ACID, 4-AMINO-.ALPHA.-(3-AMINO-3-OXOPROPYL)-1,3-DIHYDRO-1,3-DIOXO-
Common Name English
M11(CC-8017)
Common Name English
Code System Code Type Description
CAS
2635-64-5
Created by admin on Sat Dec 16 09:16:29 UTC 2023 , Edited by admin on Sat Dec 16 09:16:29 UTC 2023
PRIMARY
PUBCHEM
15549839
Created by admin on Sat Dec 16 09:16:29 UTC 2023 , Edited by admin on Sat Dec 16 09:16:29 UTC 2023
PRIMARY
FDA UNII
1XS9W611WZ
Created by admin on Sat Dec 16 09:16:29 UTC 2023 , Edited by admin on Sat Dec 16 09:16:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
FECAL; PLASMA; URINE