Venetoclax Impurity 6

CAT: 1506-KL-02-02604Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1506-KL-02-02604Size:100 mg

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

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CAS Number

1228779-96-1

Specifications

Impurity

Chemical Information

3-Nitro-4-(((tetrahydro-2H-pyran-4-yl) methyl)amino) benzene sulfonamide

CAS Number	1228779-96-1
PubChem CID	57474953
IUPAC Name	3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
Molecular Formula	C12H17N3O5S
Molecular Weight	315.35
XLogP	1.4
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	452

SMILES

C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)

InChIKey

HNQRHNYBVWICKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1228779-96-1

CID: 57474953

Formula: C12H17N3O5S

MW: 315.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.35
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	315.08889182
Monoisotopic Mass	315.08889182
Topological Polar Surface Area	136 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	452
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
KL-02-02607	Venetoclax Impurity 38
KL-02-01855	Olmesartan Medoxomil Impurity 6
KL-02-00204-01	Aspirin Impurity A
KL-02-01034-01	Edoxaban Impurity 32
KL-02-01028	Eltrombopag Amino Impurity
KL-02-01005-01	Ezetimibe Impurity 4
KL-02-00786	Deferasirox Benzamide Impurity
KL-02-00776	Dasatinib Impurity 2
KL-02-00461	Celecoxib Hydrazine Impurity
KL-02-00338	Brexpiprazole Impurity 22

Catalog	Name
CS-O-33811	Venetoclax Hydroxyl impurity (Venetoclax Impurity M3)
CS-O-36798	Venetoclax Impurity
CS-T-82852	Venetoclax Impurity 6
CS-O-62987	Venetoclax Impurity 58
CS-O-47892	Venetoclax Hydroxy impurity
CS-O-16745	Venetoclax destetrahydropyranmethylamine impurity
CS-O-16744	Venetoclax Impurity 5
CS-O-16741	Venetoclax Impurity 2
CS-EO-00676	Venetoclax Impurity 12
TRC-V216320-500MG	Venetoclax Ester Impurity