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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H15NO2
Molecular Weight 157.2102
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Macronecine, (-)-

SMILES

[H][C@@]12CCCN1C[C@@H](O)[C@H]2CO

InChI

InChIKey=YEZAXZZXDSQLIA-BIIVOSGPSA-N
InChI=1S/C8H15NO2/c10-5-6-7-2-1-3-9(7)4-8(6)11/h6-8,10-11H,1-5H2/t6-,7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H15NO2
Molecular Weight 157.2102
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:49:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:15 GMT 2023
Record UNII
J7G72AJ4V7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Macronecine, (-)-
Common Name English
(-)-Macronecine
Common Name English
1H-Pyrrolizine-1-methanol, hexahydro-2-hydroxy-, (1R,2S,7aS)-
Systematic Name English
1H-Pyrrolizine-1-methanol, hexahydro-2-hydroxy-, [1R-(1α,2α,7aα)]-
Systematic Name English
(1R,2S,7aS)-Hexahydro-2-hydroxy-1H-pyrrolizine-1-methanol
Systematic Name English
Code System Code Type Description
PUBCHEM
11126522
Created by admin on Sat Dec 16 18:49:15 GMT 2023 , Edited by admin on Sat Dec 16 18:49:15 GMT 2023
PRIMARY
FDA UNII
J7G72AJ4V7
Created by admin on Sat Dec 16 18:49:15 GMT 2023 , Edited by admin on Sat Dec 16 18:49:15 GMT 2023
PRIMARY
CAS
21823-66-5
Created by admin on Sat Dec 16 18:49:15 GMT 2023 , Edited by admin on Sat Dec 16 18:49:15 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> RACEMATE