N-Denitroso-N′-nitroso Lomustine

CAT: 0024-sc-500073Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500073Size:10 mg

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CAS Number

54749-91-6

Chemical Information

3-(2-Chloroethyl)-1-cyclohexyl-1-nitrosourea

CAS Number	54749-91-6
PubChem CID	3041706
IUPAC Name	3-(2-chloroethyl)-1-cyclohexyl-1-nitrosourea
Molecular Formula	C9H16ClN3O2
Molecular Weight	233.69
XLogP	2.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	219

SMILES

C1CCC(CC1)N(C(=O)NCCCl)N=O

InChI

InChI=1S/C9H16ClN3O2/c10-6-7-11-9(14)13(12-15)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)

InChIKey

IGMMTYZWNUSEEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54749-91-6

CID: 3041706

Formula: C9H16ClN3O2

MW: 233.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.69
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.0931045
Monoisotopic Mass	233.0931045
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	219
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
sc-202697	Lomustine
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sc-208051D	N-Nitroso-N-methylaniline
sc-219210	N-Nitroso-N-propylurea
sc-215469A	N-Nitroso-N-ethylurea
sc-208050A	N-Nitroso-N-ethylaniline
sc-208050D	N-Nitroso-N-ethylaniline
sc-208051B	N-Nitroso-N-methylaniline
sc-208051	N-Nitroso-N-methylaniline
sc-470930	N-Nitroso-N-ethylbutylamine

Catalog	Name
008025	N-Denitroso-N’-nitroso Lomustine
271440-01	N-Denitroso-N'-nitroso lomustine
WDC60397-01	N-Denitroso-N-nitroso lomustine-d4
TRC-D231452-25MG	N-Denitroso-N’-nitroso Lomustine-d4
AR-L07655-01	N-Nitroso Lomustine Impurity 1
AR-L07653-01	N'-Nitroso Lomustine EP Impurity B
RM-L151304-01	Lomustine Nitroso Impurity 4
RM-L151303-01	Lomustine Nitroso Impurity 3
RM-S030010-01	N-Nitroso-Albuterol (N-Nitroso-Salbutamol)
AR-K01829-01	N-Nitroso Rabusertib (N-Nitroso LY2603618)