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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO3
Molecular Weight 159.183
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calystegine A6

SMILES

[H][C@]12C[C@H](O)[C@](O)(N1)[C@@H](O)CC2

InChI

InChIKey=YOBNKFROEGVQPW-AXMZGBSTSA-N
InChI=1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2/t4-,5-,6-,7-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Calystegine A6
Common Name English
(1S,2S,5S,7S)-8-Azabicyclo[3.2.1]octane-1,2,7-triol
Systematic Name English
8-Azabicyclo[3.2.1]octane-1,2,7-triol, (1S,2S,5S,7S)-
Systematic Name English
(1R,2S,5S,7R)-8-AZABICYCLO(3.2.1)OCTANE-1,2,7-TRIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
134693643
Created by admin on Sat Dec 16 19:55:39 GMT 2023 , Edited by admin on Sat Dec 16 19:55:39 GMT 2023
PRIMARY
CAS
177794-04-6
Created by admin on Sat Dec 16 19:55:39 GMT 2023 , Edited by admin on Sat Dec 16 19:55:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID901221583
Created by admin on Sat Dec 16 19:55:39 GMT 2023 , Edited by admin on Sat Dec 16 19:55:39 GMT 2023
PRIMARY
FDA UNII
9XUM63JU7F
Created by admin on Sat Dec 16 19:55:39 GMT 2023 , Edited by admin on Sat Dec 16 19:55:39 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of Calystegine A6
NIH
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