CGP 48664A

CAT: 0926-NFA79473-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-NFA79473-02Size:25 mg

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

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CAS Number

138794-73-7

MDL Number

MFCD26940107

Smiles

C1C/C (=N\N=C (N) N) /C2=C1C (=CC=C2) C (=N) N

Molecular Formula

C11H16Cl2N6

Molecular Weight

303.19 g/mol

Controlled

Chemical Information

Sardomozide dihydrochloride

CAS Number	138794-73-7
PubChem CID	10402702
IUPAC Name	(1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide;dihydrochloride
Molecular Formula	C11H16Cl2N6
Molecular Weight	303.19
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	368

SMILES

C1C/C(=N\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C11H14N6.2ClH/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15;;/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17);2*1H/b16-9+;;

InChIKey

UHEIPGJSFDAPIC-NENXIMLWSA-N

Chemical Structure

2D Structure

CAS: 138794-73-7

CID: 10402702

Formula: C11H16Cl2N6

MW: 303.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.19
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	302.0813499
Monoisotopic Mass	302.0813499
Topological Polar Surface Area	127 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
444250-01	CGP 48664A