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RH1

CAT: 0127-BUP01606-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01606-02Size:5 mg
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CAS Number
221635-42-3
Synonyms
NSC 697726
Purity
=98%
Smiles
O=C1C(=C(C(=O)C(=C1C)N2CC2)CO)N3CC3

Chemical Information

2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione

RH-1 has been used in trials studying the treatment of Advanced Solid Tumors and Non-Hodgkin's Lymphoma.

CAS Number221635-42-3
PubChem CID394347
IUPAC Name2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP0.1
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity482
SMILES
CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3
InChI
InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3
InChIKey
JKDLOGLNPDVUCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
CAS: 221635-42-3
CID: 394347
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area60.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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