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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO2
Molecular Weight 221.2955
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARNEGINE, (S)-

SMILES

COC1=C(OC)C=C2[C@H](C)N(C)CCC2=C1

InChI

InChIKey=HRSIPKSSEVRSPG-VIFPVBQESA-N
InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO2
Molecular Weight 221.2955
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:34:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:34:55 GMT 2025
Record UNII
EZM3RAR846
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-CARNEGINE
Preferred Name English
CARNEGINE, (S)-
Common Name English
CARNEGINE, (-)-
Common Name English
PECTENINE, (-)-
Common Name English
(-)-PECTENINE
Common Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1,2-DIMETHYL-, (1S)-
Systematic Name English
(S)-(-)-CARNEGINE
Common Name English
Code System Code Type Description
FDA UNII
EZM3RAR846
Created by admin on Mon Mar 31 22:34:55 GMT 2025 , Edited by admin on Mon Mar 31 22:34:55 GMT 2025
PRIMARY
PUBCHEM
442186
Created by admin on Mon Mar 31 22:34:55 GMT 2025 , Edited by admin on Mon Mar 31 22:34:55 GMT 2025
PRIMARY
CAS
38221-25-9
Created by admin on Mon Mar 31 22:34:55 GMT 2025 , Edited by admin on Mon Mar 31 22:34:55 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
SALT/SOLVATE -> PARENT