기본 정보
- CAS
52049-26-0- 표준 SMILES
O=NN(CCCl)C(=O)NC1CCC(O)CC1- InChIKey
BTNKSMIZKSHDNT-UHFFFAOYSA-N- 분자식
- C9H16ClN3O3
- 평균 분자량
- 249.69 g/mol
- 단동위원소 질량
- 249.0880191
개요
RN given refers to (trans)-isomer
이름 및 식별자
- 우선 이름
- 4-Hydroxylomustine
- IUPAC
- 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea
- 영어명
- 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-urea
- 분자식
- C9H16ClN3O3
- 분자량
- 249.69
이름 및 동의어
4-Hydroxylomustine1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea4-hydroxy-CCNURefChem:912591trans-4-OH CCNU52049-26-056239-24-8cis-4-Hydroxy-lomustinetrans-4-Hydroxy-lomustineNSC-239717NSC 239724cis-4-Hydroxy CCNU
이름 더 보기
cis-4’-Hydroxy CCNU LomustineLomustine cis-4-Hydroxy Impurity1-(2-chloroethyl)-3-((1s,4s)-4-hydroxycyclohexyl)-1-nitrosoureaUrea, N-(2-chloroethyl)-N'-(cis-4-hydroxycyclohexyl)-N-nitroso-
trans-4-Hydroxy CCNU1-(2-Chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitrosourea1-(2-Chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitrosoureaUrea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-N-(2-Chloroethyl)-N'-(trans-4-hydroxycyclohexyl)-N-nitrosourea1-(2-CHLOROETHYL)-3-(4-HYDROXYCYCLOHEXYL)-1-NITROSO-UREAUrea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, cis-Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, trans-
데이터베이스 식별자
- CAS
52049-26-0、56239-24-8- PubChem CID
- 92073
- DTXSID
DTXSID30879605- ChEMBL
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 82 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 244
실험 및 물리화학적 성질
LogP1.11
물리화학적 성질
- 끓는 점
- 132 °C · 132°C (rough estimate)
- 밀도
- 1.446 · 1.4460 (rough estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 산도 계수 (pKa)
- 10.624 · 10.624±0.40(predicted)
화학 및 산업
응용 분야
용도cis-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.
공급사7 곳
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]
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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]
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