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

Details

Stereochemistry MIXED
Molecular Formula C12H15O2.C5H7O2.Pt
Molecular Weight 485.438
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (ACETYLACETONATO)(3-(2-NORBORNEN-5-YL)-2,4-PENTANEDIONATO)PLATINUM

SMILES

[Pt++].CC(=O)[CH-]C(C)=O.CC(=O)C(C1[CH-][C@@H]2C[C@H]1C=C2)C(C)=O

InChI

InChIKey=CGMMXMOWCVBIFF-QSOWHRQKSA-N
InChI=1S/C12H15O2.C5H7O2.Pt/c1-7(13)12(8(2)14)11-6-9-3-4-10(11)5-9;1-4(6)3-5(2)7;/h3-4,6,9-12H,5H2,1-2H3;3H,1-2H3;/q2*-1;+2/t9-,10+,11?;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C5H8O2
Molecular Weight 100.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Pt
Molecular Weight 195.084
Charge 2
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 Mon Mar 31 22:07:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:15 GMT 2025
Record UNII
3412NYO29U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PENTANEDIONE, 3-(BICYCLO(2.2.1)HEPT-5-EN-2-YL)-, PLATINUM COMPLEX
Preferred Name English
(ACETYLACETONATO)(3-(2-NORBORNEN-5-YL)-2,4-PENTANEDIONATO)PLATINUM
Common Name English
PLATINUM, ((5,6-.ETA.)-3-(1-ACETYL-2-OXOPROPYL)BICYCLO(2.2.1)HEPT-5-EN-2-YL-.KAPPA.C)(2,4-PENTANEDIONATO-.KAPPA.O2,.KAPPA.O4)-
Systematic Name English
PLATINUM, ((2,5,6-.ETA.)-3-(1-ACETYL-2-OXOPROPYL)BICYCLO(2.2.1)HEPT-5-EN-2-YL)(2,4-PENTANEDIONATO-O,O')-
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 619
Created by admin on Mon Mar 31 22:07:15 GMT 2025 , Edited by admin on Mon Mar 31 22:07:15 GMT 2025
Code System Code Type Description
FDA UNII
3412NYO29U
Created by admin on Mon Mar 31 22:07:15 GMT 2025 , Edited by admin on Mon Mar 31 22:07:15 GMT 2025
PRIMARY
CAS
69547-11-1
Created by admin on Mon Mar 31 22:07:15 GMT 2025 , Edited by admin on Mon Mar 31 22:07:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID501043486
Created by admin on Mon Mar 31 22:07:15 GMT 2025 , Edited by admin on Mon Mar 31 22:07:15 GMT 2025
PRIMARY