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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO4
Molecular Weight 175.1824
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calystegine B3

SMILES

O[C@H]1[C@H]2CC[C@](O)(N2)[C@H](O)[C@@H]1O

InChI

InChIKey=FXFBVZOJVHCEDO-IECVIRLLSA-N
InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H13NO4
Molecular Weight 175.1824
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:23:36 GMT 2025
Edited
by admin
on Wed Apr 02 17:23:36 GMT 2025
Record UNII
E4RVK67Z33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calystegine B3
Common Name English
(+)-Calystegine B3
Preferred Name English
Calystegin B3
Common Name English
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (2-exo,3-exo,4-endo)-(+)-
Common Name English
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2R,3R,4S,5R)-
Systematic Name English
2-Epicalystegine B2
Common Name English
(1R,2R,3R,4S,5R)-8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Systematic Name English
Code System Code Type Description
CAS
178231-95-3
Created by admin on Wed Apr 02 17:23:36 GMT 2025 , Edited by admin on Wed Apr 02 17:23:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID101319081
Created by admin on Wed Apr 02 17:23:36 GMT 2025 , Edited by admin on Wed Apr 02 17:23:36 GMT 2025
PRIMARY
FDA UNII
E4RVK67Z33
Created by admin on Wed Apr 02 17:23:36 GMT 2025 , Edited by admin on Wed Apr 02 17:23:36 GMT 2025
PRIMARY
PUBCHEM
10313337
Created by admin on Wed Apr 02 17:23:36 GMT 2025 , Edited by admin on Wed Apr 02 17:23:36 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER
DIASTEREOISOMER -> DIASTEREOISOMER