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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11NO4.H2O
Molecular Weight 203.1925
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EGLUMETAD MONOHYDRATE

SMILES

O.[H][C@@]12CC[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(O)=O

InChI

InChIKey=XJPQOSJARVVBIU-PLFKSMQJSA-N
InChI=1S/C8H11NO4.H2O/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H2/t3-,4-,5-,8-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C8H11NO4
Molecular Weight 185.1772
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:29:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:29:39 UTC 2023
Record UNII
3ZYA0RP5FA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EGLUMETAD MONOHYDRATE
Common Name English
BICYCLO(3.1.0)HEXANE-2,6-DICARBOXYLIC ACID, 2-AMINO-, (1S,2S,5R,6S)-, MONOHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
3ZYA0RP5FA
Created by admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
PRIMARY
PUBCHEM
156665
Created by admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID40943184
Created by admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
PRIMARY
CAS
209216-09-1
Created by admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
PRIMARY
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