Act 373898 disodium

CAT: 0926-IHC87514-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-IHC87514-01Size:25 mg

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CAS Number

1433875-14-9

Smiles

CCCNS (=O) (=O) NC1=C (C (=NC=N1) OCC (=O) O) C2=CC=C (C=C2) Br

Molecular Formula

C15H17BrN4O5S

Molecular Weight

445.3 g/mol

Controlled

Chemical Information

2-[5-(4-Bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyacetic acid

CAS Number	1433875-14-9
PubChem CID	129011924
IUPAC Name	2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyacetic acid
Molecular Formula	C15H17BrN4O5S
Molecular Weight	445.3
XLogP	2.3
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	551

SMILES

CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCC(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN4O5S/c1-2-7-19-26(23,24)20-14-13(10-3-5-11(16)6-4-10)15(18-9-17-14)25-8-12(21)22/h3-6,9,19H,2,7-8H2,1H3,(H,21,22)(H,17,18,20)

InChIKey

IMSGHDWVBCDHNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1433875-14-9

CID: 129011924

Formula: C15H17BrN4O5S

MW: 445.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	445.3
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	444.01030
Monoisotopic Mass	444.01030
Topological Polar Surface Area	139 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	551
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
TRC-A191600-10MG	ACT 373898 Disodium Salt
T35623-01	ACT-373898
440942-01	ACT 373898
AR-D07294-01	Disodium Dithiocarbamate (Disodium Ethylenebis)
RM-M050800-01	Pyrroloquinolinequinone disodium salt; Methoxatin disodium salt
A8332-50	R788 disodium
A8389-50	Carbenoxolone disodium
C6472-100	Eprodisate disodium
C6503-200	Methotrexate disodium
A2456-50	Pamidronate Disodium