Sulfadimethoxine Impurity 20

CAT: 1299-RM-S212620-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S212620-01Size:10 mg

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CAS Number

1262770-70-6

Synonyms

4-amino-N- (5-methoxy-6- (methoxy-d3) pyrimidin-4-yl) benzenesulfonamide

Molecular Formula

C12H11D3N4O4S

Molecular Weight

313.35

Target Alternative Name

Sulfadimethoxine

Chemical Information

Sulfadoxine D3

CAS Number	1262770-70-6
PubChem CID	71312412
IUPAC Name	4-amino-N-[5-methoxy-6-(trideuteriomethoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular Formula	C12H14N4O4S
Molecular Weight	313.35
XLogP	0.7
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	419

SMILES

[2H]C([2H])([2H])OC1=NC=NC(=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)/i2D3

InChIKey

PJSFRIWCGOHTNF-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 1262770-70-6

CID: 71312412

Formula: C12H14N4O4S

MW: 313.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.35
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	313.09240635
Monoisotopic Mass	313.09240635
Topological Polar Surface Area	125 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	419
Isotope Atom Count	3
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-S212601-01	Sulfadimethoxine EP Impurity A
RM-S212615-01	Sulfadimethoxine Impurity 15
RM-S212618-01	Sulfadimethoxine Impurity 18
RM-S212617-01	Sulfadimethoxine Impurity 17
RM-S212611-01	Sulfadimethoxine Impurity 11
RM-S212612-01	Sulfadimethoxine Impurity 12
RM-S212613-01	Sulfadimethoxine Impurity 13
RM-S212614-01	Sulfadimethoxine Impurity 14
RM-S212616-01	Sulfadimethoxine Impurity 16
RM-S212619-01	Sulfadimethoxine Impurity 19

Catalog	Name
AR-S10949-01	Sulfadimethoxine Impurity 2
AR-S10955-01	Sulfadimethoxine Impurity 8
AR-S10950-01	Sulfadimethoxine Impurity 3
AR-S10951-01	Sulfadimethoxine Impurity 4
AR-S02003-01	Sulfadimethoxine EP Impurity A
AR-S10953-01	Sulfadimethoxine Impurity 6
AR-S10954-01	Sulfadimethoxine Impurity 7
AR-S10952-01	Sulfadimethoxine Impurity 5
AR-S02009-01	Sulfadimethoxine EP Impurity F
AR-S02004-01	Sulfadimethoxine EP Impurity B