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Details

Stereochemistry RACEMIC
Molecular Formula C8H15NO
Molecular Weight 141.2108
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORETRONECANOL, (±)-

SMILES

OC[C@@H]1CCN2CCC[C@H]12

InChI

InChIKey=LOFDEIYZIAVXHE-JGVFFNPUSA-N
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H15NO
Molecular Weight 141.2108
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:44:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:44:38 GMT 2025
Record UNII
B8448092FP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-ISORETRONECANOL
Preferred Name English
ISORETRONECANOL, (±)-
Common Name English
1H-PYRROLIZINE-1-METHANOL, HEXAHYDRO-, (1R,7AR)-REL-
Systematic Name English
1H-PYRROLIZINE-1-METHANOL, HEXAHYDRO-, TRANS-
Systematic Name English
Code System Code Type Description
FDA UNII
B8448092FP
Created by admin on Mon Mar 31 23:44:38 GMT 2025 , Edited by admin on Mon Mar 31 23:44:38 GMT 2025
PRIMARY
CAS
18929-90-3
Created by admin on Mon Mar 31 23:44:38 GMT 2025 , Edited by admin on Mon Mar 31 23:44:38 GMT 2025
PRIMARY