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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

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

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

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
D2P2A4GF4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Macronecine, (±)-
Common Name English
rel-(1R,2S,7aS)-1-(hydroxymethyl)hexahydro-1H-pyrrolizin-2-ol
Systematic Name English
1H-Pyrrolizine-1-methanol, hexahydro-2-hydroxy-, (1R,2S,7aS)-rel-
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 Sat Dec 16 18:49:16 GMT 2023 , Edited by admin on Sat Dec 16 18:49:16 GMT 2023
PRIMARY
PUBCHEM
276550
Created by admin on Sat Dec 16 18:49:16 GMT 2023 , Edited by admin on Sat Dec 16 18:49:16 GMT 2023
PRIMARY
FDA UNII
D2P2A4GF4J
Created by admin on Sat Dec 16 18:49:16 GMT 2023 , Edited by admin on Sat Dec 16 18:49:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID30944428
Created by admin on Sat Dec 16 18:49:16 GMT 2023 , Edited by admin on Sat Dec 16 18:49:16 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE