Virstatin

CAT: 0024-sc-358715Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-358715Size:10 mg

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CAS Number

88909-96-0

Chemical Information

Virstatin

4-NAPHTHALIMIDOBUTYRIC ACID is a member of isoquinolines.

CAS Number	88909-96-0
PubChem CID	145949
IUPAC Name	4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Molecular Formula	C16H13NO4
Molecular Weight	283.28
XLogP	2
Topological Polar Surface Area	74.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	431

SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O

InChI

InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)

InChIKey

ZHXRDXTYPCPBTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88909-96-0

CID: 145949

Formula: C16H13NO4

MW: 283.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.28
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	283.08445790
Monoisotopic Mass	283.08445790
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	431
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
4050838.0025	Virstatin