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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H13NO3
Molecular Weight 147.1723
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFEGOSTAT

SMILES

OC[C@H]1CNC[C@@H](O)[C@@H]1O

InChI

InChIKey=QPYJXFZUIJOGNX-HSUXUTPPSA-N
InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1

HIDE SMILES / InChI
Molecular Formula C6H13NO3
Molecular Weight 147.1723
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:16:21 UTC 2023
Edited
by admin
on Fri Dec 15 16:16:21 UTC 2023
Record UNII
G23AP190YS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFEGOSTAT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
ISOFAGOMINE
MI  
Common Name English
(3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol
Systematic Name English
3,4-PIPERIDINEDIOL, 5-(HYDROXYMETHYL)-, (3R,4R,5R)-
Systematic Name English
ISOFAGOMINE [MI]
Common Name English
Afegostat [WHO-DD]
Common Name English
afegostat [INN]
Common Name English
AFEGOSTAT [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C87006
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL206468
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
CAS
169105-89-9
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
PUBCHEM
447607
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
USAN
TT-109
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
SMS_ID
100000177265
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
WIKIPEDIA
Afegostat
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
MESH
C098432
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID20168651
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
DRUG BANK
DB04545
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
MERCK INDEX
m6487
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C83520
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
INN
9004
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
FDA UNII
G23AP190YS
Created by admin on Fri Dec 15 16:16:21 UTC 2023 , Edited by admin on Fri Dec 15 16:16:21 UTC 2023
PRIMARY
Related Record Type Details
Structure of AFEGOSTAT TARTRATE
SALT/SOLVATE -> PARENT
LYSOSOMAL ACID GLUCOSYLCERAMIDASE
TARGET->LIGAND
Related Record Type Details
Structure of AFEGOSTAT
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966