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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H15NO
Molecular Weight 141.2108
Optical Activity UNSPECIFIED
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-SFYZADRCSA-N
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/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 23:44:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:44:37 GMT 2025
Record UNII
661H3381JS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISORETRONECANOL, (-)-
Common Name English
(-)-ISORETRONECANOL
Preferred Name English
1H-PYRROLIZINE-1-METHANOL, HEXAHYDRO-, (1S,7AS)-
Systematic Name English
9-HYDROXYHELIOTRIDANE
Common Name English
HELIOTRIDANE, 9-HYDROXY-
Common Name English
ISORETRONECANOL
Common Name English
1H-PYRROLIZINE-1-METHANOL, HEXAHYDRO-, (1S-TRANS)-
Systematic Name English
2,3,5,6,7,7A.ALPHA.-HEXAHYDRO-1H-PYRROLIZINE-1.BETA.-METHANOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50200578
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
CAS
526-63-6
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
FDA UNII
661H3381JS
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
PUBCHEM
3080563
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY