Sulfadimethoxine EP Impurity E-13C6

CAT: 1596-AR-S02010-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S02010-01Size:10 Units

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CAS Number

1196157-89-7

Synonyms

4-aminobenzenesulfonamide-13C6; (Sulfanilamide-13C6)

Molecular Formula

13C6 H8N2O2S

Molecular Weight

178.16

API Name

Sulfadimethoxine

Chemical Information

Sulfanilamide-13C6

CAS Number	1196157-89-7
PubChem CID	71312511
IUPAC Name	4-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
Molecular Formula	C6H8N2O2S
Molecular Weight	178.16
XLogP	-0.6
Topological Polar Surface Area	94.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	211

SMILES

[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1N)S(=O)(=O)N

InChI

InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

FDDDEECHVMSUSB-IDEBNGHGSA-N

Chemical Structure

2D Structure

CAS: 1196157-89-7

CID: 71312511

Formula: C6H8N2O2S

MW: 178.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.16
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.05077769
Monoisotopic Mass	178.05077769
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	211
Isotope Atom Count	6
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-S02003-01	Sulfadimethoxine EP Impurity A
AR-S02009-01	Sulfadimethoxine EP Impurity F
AR-S02004-01	Sulfadimethoxine EP Impurity B
AR-S02006-01	Sulfadimethoxine EP Impurity D
AR-S02005-01	Sulfadimethoxine EP Impurity C
AR-T05027-01	Liothyronine EP Impurity C-13C6 (Levothyroxine EP Impurity C-13C6)
AR-S10949-01	Sulfadimethoxine Impurity 2
AR-S10955-01	Sulfadimethoxine Impurity 8
AR-S10950-01	Sulfadimethoxine Impurity 3
AR-S10951-01	Sulfadimethoxine Impurity 4

Catalog	Name
RG-S061200-01	Sulfanilamide; Sulfamethoxazole EP Impurity E; Sulfadiazine EP Impurity D; Sulfadimidine EP Impurity D; Sulfadimethoxine EP Impurity E
CS-W-00304	Sulfadimethoxine-13C6
RM-S212601-01	Sulfadimethoxine EP Impurity A
RM-S212615-01	Sulfadimethoxine Impurity 15
RM-S212618-01	Sulfadimethoxine Impurity 18
RM-S212620-01	Sulfadimethoxine Impurity 20
RM-S212617-01	Sulfadimethoxine Impurity 17
RM-S212611-01	Sulfadimethoxine Impurity 11
RM-S212612-01	Sulfadimethoxine Impurity 12
RM-S212613-01	Sulfadimethoxine Impurity 13