Arbidol HCl 5mg

CAT: 0628-A11663-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A11663-5Size:5 mg

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CAS Number

131707-23-8

Chemical Information

Arbidol

CAS Number	131707-23-8
PubChem CID	9958103
IUPAC Name	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Molecular Formula	C22H26BrClN2O3S
Molecular Weight	513.9
Topological Polar Surface Area	80
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	546

SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H

InChIKey

OMZHXQXQJGCSKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131707-23-8

CID: 9958103

Formula: C22H26BrClN2O3S

MW: 513.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	513.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	512.05360
Monoisotopic Mass	512.05360
Topological Polar Surface Area	80 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	546
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	2
Compound Is Canonicalized	Yes

Catalog	Name
7235/50	Arbidol
TRC-A123870-50MG	Arbidol Carbaldehyde (Arbidol Impurity A)
CS-P-07044	Arbidol Sulfone
BKD03235	Arbidol analog
MBS385246-01	Arbidol HCl
TRC-A766000-100MG	Arbidol Hydrochloride
BGA45533-01	Arbidol sulfoxide