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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N5O5S.H2O.H3N
Molecular Weight 390.415
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2979165 AMMONIUM MONOHYDRATE

SMILES

N.O.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@](C[C@H]2SC3=NN=CN3)(NC(=O)[C@H](C)N)C(O)=O

InChI

InChIKey=FICWTZOQUXUYOK-AHKKVLALSA-N
InChI=1S/C13H17N5O5S.H3N.H2O/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21;;/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18);1H3;1H2/t4-,5+,6-,7-,8-,13-;;/m0../s1

HIDE SMILES / InChI

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

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H17N5O5S
Molecular Weight 355.37
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Evaluation of single and multiple doses of a novel mGlu2 agonist, a potential antipsychotic therapy, in healthy subjects.
2017 Aug
Group II metabotropic glutamate receptor agonist prodrugs LY2979165 and LY2140023 attenuate the functional imaging response to ketamine in healthy subjects.
2018 Jul
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:53:17 GMT 2023
Edited
by admin
on Sat Dec 16 13:53:17 GMT 2023
Record UNII
04MW5TZ18S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-2979165 AMMONIUM MONOHYDRATE
Code English
BICYCLO(3.1.0)HEXANE-2,6-DICARBOXYLIC ACID, 2-(((2S)-2-AMINO-1-OXOPROPYL)AMINO)-4-(1H-1,2,4-TRIAZOL-5-YLTHIO)-, AMMONIUM SALT, HYDRATE (1:1:1), (1R,2S,4R,5R,6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66577008
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
FDA UNII
04MW5TZ18S
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
CAS
1311385-32-6
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID00735345
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE