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ICRF 193

CAT: 0926-BI162087-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BI162087-02Size:1 mg
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CAS Number
21416-88-6
Smiles
C[C@H] ([C@H] (C) N1CC (=O) NC (=O) C1) N2CC (=O) NC (=O) C2
Molecular Formula
C12H18N4O4
Molecular Weight
282.3 g/mol
Controlled
No

Chemical Information

Icrf 193

ICRF-193 is an N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer. It has a role as an antineoplastic agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and an apoptosis inducer.

CAS Number21416-88-6
PubChem CID119081
IUPAC Name4-[(2S,3R)-3-(3,5-dioxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
Molecular FormulaC12H18N4O4
Molecular Weight282.30
XLogP-1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity390
SMILES
C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChI
InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/t7-,8+
InChIKey
OBYGAPWKTPDTAS-OCAPTIKFSA-N
Chemical Structure
2D Structure
2D structure of Icrf 193
CAS: 21416-88-6
CID: 119081
Formula: C12H18N4O4
MW: 282.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.30
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass282.13280507
Monoisotopic Mass282.13280507
Topological Polar Surface Area98.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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