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Cis-4'-Hydroxy CCNU Lomustine

CAT: 1596-AR-L01802-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
52049-26-0
Synonyms
1- (2-chloroethyl) -3- ((Cis-4-hydroxycyclohexyl) -1-nitrosourea;1- (2-Chloroethyl) -3- (cis-4-hydroxycyclohexyl) -1-nitrosourea; N- (2-Chloroethyl) -N'- (cis-4-hydroxycyclohexyl) -N-nitrosourea; NSC 239724; cis-4-Hydroxy CCNU; cis-4-Hydroxy-lomustine
Molecular Formula
C9H16ClN3O3
Molecular Weight
249.7
API Name
Lomustine

Chemical Information

4-Hydroxylomustine

RN given refers to (trans)-isomer

CAS Number52049-26-0
PubChem CID92073
IUPAC Name1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea
Molecular FormulaC9H16ClN3O3
Molecular Weight249.69
XLogP1.1
Topological Polar Surface Area82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
C1CC(CCC1NC(=O)N(CCCl)N=O)O
InChI
InChI=1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)
InChIKey
BTNKSMIZKSHDNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxylomustine
CAS: 52049-26-0
CID: 92073
Formula: C9H16ClN3O3
MW: 249.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.69
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass249.0880191
Monoisotopic Mass249.0880191
Topological Polar Surface Area82 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
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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Alternative Products

CatalogName
HY-143978S-01Cis-4’-Hydroxy CCNU Lomustine-d4
TRC-H942999-50MGTrans 4-Hydroxy CCNU lomustine d4
CCA04926-01Cis-4-Hydroxy-lomustine
CS-O-40988Cis-4-Hydroxy-lomustine-d4
TRC-H942992-25MGcis-4-Hydroxy-lomustine-d10
444698-01Cis-4-Hydroxy-lomustine-d10 discontinued
TRC-H942995-10MGtrans-4-Hydroxy-lomustine
CS-O-40989Trans-4-Hydroxy-lomustine-d4
TRC-H942997-25MGtrans-4-Hydroxy-lomustine-d10
467877-01Trans-4-Hydroxy-lomustine-d10 discontinued

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