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Basic information
- CAS
52049-26-0- Standard SMILES
O=NN(CCCl)C(=O)NC1CCC(O)CC1- InChIKey
BTNKSMIZKSHDNT-UHFFFAOYSA-N- Molecular formula
- C9H16ClN3O3
- Average molar mass
- 249.698 g/mol
- Monoisotopic mass
- 249.08801905
Names & identifiers
- Preferred name
- 1-NO-1(2CLET)-3(4-OH CYHEXYL)UREA
- IUPAC
- N-(2-Chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitrosocarbamimidic acid
- English name
- 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-urea
- Molecular formula
- C9H16ClN3O3
- Molecular weight
- 249.69
Names & synonyms
cis-4’-Hydroxy CCNU LomustineLomustine cis-4-Hydroxy Impurity1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-ureaUrea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-1-(2-chloroethyl)-3-((1s,4s)-4-hydroxycyclohexyl)-1-nitrosoureaUrea, N-(2-chloroethyl)-N'-(cis-4-hydroxycyclohexyl)-N-nitroso-
Database identifiers
- CAS
52049-26-0、56239-24-8- PubChem CID
- 92073
- DTXSID
DTXSID30879605- ChEMBL
CHEMBL1970179、CHEMBL2051940- UNII
- A63X6MY7R4、DT68Z5XSS5
- Nikkaji
- J60.485B、J83.871C
Properties
Physicochemical properties
- Boiling point
- 132 °C · 132°C (rough estimate)
- Density
- 1.446 · 1.4460 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 10.624 · 10.624±0.40(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 68 Z5XSS5 · DT68Z5XSS5
Chemistry & industry
Applications
Usescis-4-Hydroxy-lomustine is an impurity of lomustine (L469440) which is a chloroethylnitrosourea derivative with antitumor activity. Lomustine is similar to carmustine, chlorozotocin, nimustine, and ranimustine.
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences16314854226 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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