Mitiglinide Impurity 12

CAT: 1596-AR-M04898-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-M04898-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

204187-39-3

Molecular Formula

C20H27NO3

Molecular Weight

329.44

API Name

Mitiglinide

Chemical Information

Mitiglinide Calcium Impurity 14

CAS Number	204187-39-3
PubChem CID	10687812
IUPAC Name	methyl (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
Molecular Formula	C20H27NO3
Molecular Weight	329.4
XLogP	3.3
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	430

SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)N2C[C@H]3CCCC[C@H]3C2

InChI

InChI=1S/C20H27NO3/c1-24-20(23)18(11-15-7-3-2-4-8-15)12-19(22)21-13-16-9-5-6-10-17(16)14-21/h2-4,7-8,16-18H,5-6,9-14H2,1H3/t16-,17+,18-/m0/s1

InChIKey

AOVDRCINQFAUAA-KSZLIROESA-N

Chemical Structure

2D Structure

CAS: 204187-39-3

CID: 10687812

Formula: C20H27NO3

MW: 329.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	329.19909372
Monoisotopic Mass	329.19909372
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes