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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H24NO3.Ca
Molecular Weight 668.876
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MITIGLINIDE CALCIUM ANHYDROUS

SMILES

[Ca++].[H][C@@]12CN(C[C@]1([H])CCCC2)C(=O)C[C@H](CC3=CC=CC=C3)C([O-])=O.[H][C@@]45CN(C[C@]4([H])CCCC5)C(=O)C[C@H](CC6=CC=CC=C6)C([O-])=O

InChI

InChIKey=PMRVFZXOCRHXFE-FMEJWYFOSA-L
InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1

HIDE SMILES / InChI

Molecular Formula C19H24NO3
Molecular Weight 314.3988
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Sat Dec 16 05:01:10 UTC 2023
Edited
by admin
on Sat Dec 16 05:01:10 UTC 2023
Record UNII
P5WOR98G68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITIGLINIDE CALCIUM ANHYDROUS
Common Name English
2H-ISOINDOLE-2-BUTANOIC ACID, OCTAHYDRO-.GAMMA.-OXO-.ALPHA.-(PHENYLMETHYL)-, CALCIUM SALT (2:1), (.ALPHA.S,3AR,7AS)-
Common Name English
MITIGLINIDE CALCIUM
WHO-DD  
Common Name English
MITIGLINIDE CALCIUM SALT ANHYDROUS [MI]
Common Name English
MITIGLINIDE CALCIUM SALT ANHYDROUS
MI  
Common Name English
(S)-2-BENZYL-4-OXO-4-(CIS-PERHYDROISOINDOL-2-YL)BUTYRIC ACID CALCIUM SALT
Common Name English
Mitiglinide calcium [WHO-DD]
Common Name English
ANHYDROUS MITIGLINIDE CALCIUM
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C98079
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C132050
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
EVMPD
SUB25644
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
PUBCHEM
5478927
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
MERCK INDEX
m7566
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
FDA UNII
P5WOR98G68
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
EVMPD
SUB25643
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
SMS_ID
100000091418
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
CAS
145525-41-3
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID90872410
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY