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(2R) -Mitiglinide Calcium Salt

CAT: 1596-AR-M04909-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M04909-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1266354-02-2
Synonyms
(R) -2-Benzyl-4- ((3aR,7aS) -octahydro-2H-isoindol-2-yl) -4-oxobutanoic acid, calcium salt (2:1)
Molecular Formula
C19H24NO3. 0.5 Ca
Molecular Weight
314.41 0.5*40.08
API Name
Mitiglinide

Chemical Information

Mitiglinide Impurity 3
CAS Number1266354-02-2
PubChem CID170900984
IUPAC Namecalcium bis((2R)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate)
Molecular FormulaC38H48CaN2O6
Molecular Weight668.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity411
SMILES
C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@@H](CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
InChI
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-;/m11./s1
InChIKey
PMRVFZXOCRHXFE-HIWVWWIASA-L
Chemical Structure
2D Structure
2D structure of Mitiglinide Impurity 3
CAS: 1266354-02-2
CID: 170900984
Formula: C38H48CaN2O6
MW: 668.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight668.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass668.3138281
Monoisotopic Mass668.3138281
Topological Polar Surface Area121 Ų
Heavy Atom Count47
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-B0682S1-01(2R) -Mitiglinide-d5 (calcium)
GTR19176396-01Phosphonic acid, [ (2R, ​3S) ​-​3-​methyloxiranyl]​-​, calcium salt
BUP15626-01Phosphonic acid, [ (2R, ?3S) ?-?3-?methyloxiranyl]?-?, calcium salt
TRC-H946755-1G(2R)-2-Hydroxy-4-(methylthio)butanoic Acid Calcium Salt
421861-01(2R) -2-Hydroxy-4- (methylthio) butanoic Acid Calcium Salt
B2193-500Mitiglinide Calcium
HY-17398-01Mitiglinide (calcium)
OR1013905-01Mitiglinide Calcium Dihydrate
HY-B0682S2-01Mitiglinide-d5 (calcium)
T1530-01Mitiglinide calcium hydrate

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