Tegoprazan 4-Hydroxy Impurity

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CAS Number

2168520-25-8

Synonyms

1H-Benzimidazole-5-carboxamide, 7-hydroxy-N, N,2-trimethyl- (ACI)

Molecular Formula

C11H13N3O2

Molecular Weight

219.3

API Name

Tegoprazan

Chemical Information

4-Hydroxy-N,N,2-trimethyl-1H-benzo[D]imidazole-6-carboxamide

CAS Number	2168520-25-8
PubChem CID	138110836
IUPAC Name	7-hydroxy-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
Molecular Formula	C11H13N3O2
Molecular Weight	219.24
XLogP	1
Topological Polar Surface Area	69.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	282

SMILES

CC1=NC2=C(N1)C=C(C=C2O)C(=O)N(C)C

InChI

InChI=1S/C11H13N3O2/c1-6-12-8-4-7(11(16)14(2)3)5-9(15)10(8)13-6/h4-5,15H,1-3H3,(H,12,13)

InChIKey

POCWSMBLIUEXQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2168520-25-8

CID: 138110836

Formula: C11H13N3O2

MW: 219.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.24
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	219.100776666
Monoisotopic Mass	219.100776666
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	282
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
AR-T03475-01	Tegoprazan 4-Hydroxy N-Benzyl Impurity
AR-T04160-01	Tegoprazan Impurity 4
AR-T04167-01	Tegoprazan Impurity 20
AR-T04171-01	Tegoprazan Impurity 19
AR-T04165-01	Tegoprazan Impurity 17
AR-T04168-01	Tegoprazan Impurity 21
AR-T04158-01	Tegoprazan Impurity 2
AR-T04159-01	Tegoprazan Impurity 3
AR-T03477-01	Tegoprazan Impurity 5
AR-T04161-01	Tegoprazan Impurity 8

Catalog	Name
RM-T051604-01	Tegoprazan Impurity 4
RM-T051608-01	Tegoprazan Impurity 8 ((R) -Tegoprazan)
RM-T051601-01	Tegoprazan Impurity 1
RM-T051605-01	Tegoprazan Impurity 5
RM-T051653-01	Tegoprazan Impurity 53
RM-T051635-01	Tegoprazan Impurity 35
RM-T051632-01	Tegoprazan Impurity 32
RM-T051629-01	Tegoprazan Impurity 29
RM-T051627-01	Tegoprazan Impurity 27
RM-T051626-01	Tegoprazan Impurity 26