Ixazomib Impurity C

CAT: 1299-RM-I242603-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I242603-02Size:25 mg

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CAS Number

2872629-73-5

Synonyms

2,5-dichloro-N- (2- (isopentylamino) -2-oxoethyl) benzamide

Molecular Formula

C14H18Cl2N2O2

Molecular Weight

317.21

Target Alternative Name

Ixazomib

Product Name Synonym

2,5-dichloro-N- (2- (isopentylamino) -2-oxoethyl) benzamide

Chemical Information

2,5-Dichloro-N-(2-(isopentylamino)-2-oxoethyl)benzamide

CAS Number	2872629-73-5
PubChem CID	117993838
IUPAC Name	2,5-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
Molecular Formula	C14H18Cl2N2O2
Molecular Weight	317.2
XLogP	3.5
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	337

SMILES

CC(C)CCNC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-17-13(19)8-18-14(20)11-7-10(15)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,19)(H,18,20)

InChIKey

OOIRPWZIMLHXBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2872629-73-5

CID: 117993838

Formula: C14H18Cl2N2O2

MW: 317.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.2
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	316.0745332
Monoisotopic Mass	316.0745332
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-I242601-01	Ixazomib Impurity A
RM-I242614-01	Ixazomib Impurity N; Ixazomib Citrate
RM-I242612-01	Ixazomib Impurity L
RM-I242611-01	Ixazomib Impurity K
RM-I242609-01	Ixazomib Impurity I
RM-I242645-01	Ixazomib Impurity 18
RM-I242643-01	Ixazomib Impurity 16
RM-I242639-01	Ixazomib Impurity 12
RM-I242638-01	Ixazomib Impurity 11
RM-I242649-01	Ixazomib Impurity 22