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Details

Stereochemistry RACEMIC
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

OC[C@H]1[C@@H](O)CN2CCC[C@H]12

InChI

InChIKey=YEZAXZZXDSQLIA-PRJMDXOYSA-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+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Macronecine, (±)-
Common Name English
1H-Pyrrolizine-1-methanol, hexahydro-2-hydroxy-, (1R,2S,7aS)-rel-
Preferred Name English
rel-(1R,2S,7aS)-1-(hydroxymethyl)hexahydro-1H-pyrrolizin-2-ol
Systematic Name English
rel-(1R,2S,7aS)-Hexahydro-2-hydroxy-1H-pyrrolizine-1-methanol
Systematic Name English
Code System Code Type Description
CAS
21823-73-4
Created by admin on Wed Apr 02 12:20:38 GMT 2025 , Edited by admin on Wed Apr 02 12:20:38 GMT 2025
PRIMARY
PUBCHEM
276550
Created by admin on Wed Apr 02 12:20:38 GMT 2025 , Edited by admin on Wed Apr 02 12:20:38 GMT 2025
PRIMARY
FDA UNII
D2P2A4GF4J
Created by admin on Wed Apr 02 12:20:38 GMT 2025 , Edited by admin on Wed Apr 02 12:20:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID30944428
Created by admin on Wed Apr 02 12:20:38 GMT 2025 , Edited by admin on Wed Apr 02 12:20:38 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of Macronecine, (±)-
NIH
NCATS
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