Becampanel

CAT: 0926-NHA69680-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NHA69680-04Size:10 mg

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CAS Number

188696-80-2

Smiles

C1=C (C=C2C (=C1CNCP (=O) (O) O) NC (=O) C (=O) N2) [N+] (=O) [O-]

Molecular Formula

C10H11N4O7P

Molecular Weight

330.19 g/mol

Controlled

Chemical Information

Becampanel

Becampanel is a small molecule drug. Becampanel has a monoisotopic molecular weight of 330.04 Da.

CAS Number	188696-80-2
PubChem CID	5491960
IUPAC Name	[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid
Molecular Formula	C10H11N4O7P
Molecular Weight	330.19
XLogP	-4.4
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	530

SMILES

C1=C(C=C2C(=C1CNCP(=O)(O)O)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N4O7P/c15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9/h1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21)

InChIKey

ABFMMCZFKUIJGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188696-80-2

CID: 5491960

Formula: C10H11N4O7P

MW: 330.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.19
XLogP3	-4.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	330.03653570
Monoisotopic Mass	330.03653570
Topological Polar Surface Area	174 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	530
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