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Mitiglinide calcium

CAT: 0926-FM39317-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FM39317-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145525-41-3
Synonyms
KAD 1229; (S) -2-Benzyl-4-oxo-4- (cis-perhydroisoindol-2-yl) butyric acid calcium
MDL Number
MFCD09955408
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]
Molecular Formula
C19H25NO3•Ca0.5
Molecular Weight
670.89 g/mol
Controlled
No

Chemical Information

Mitiglinide Calcium

Kad 1229 is a polymer.

CAS Number145525-41-3
PubChem CID5478927
IUPAC Namecalcium bis((2S)-4-[(3aR,7aS)-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-;/m00./s1
InChIKey
PMRVFZXOCRHXFE-FMEJWYFOSA-L
Chemical Structure
2D Structure
2D structure of Mitiglinide Calcium
CAS: 145525-41-3
CID: 5478927
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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