4-히드록시시클로포스파미드

4-Hydroxycyclophosphamide

HCID 99735CAS 40277-05-2

기본 정보

표준 SMILES: O=P1(N(CCCl)CCCl)NC(O)CCO1
InChIKey: RANONBLIHMVXAJ-UHFFFAOYSA-N
분자식: C7H15Cl2N2O3P
평균 분자량: 277.08 g/mol
단동위원소 질량: 276.01973433

개요

4-hydroxycyclophosphamide is a phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. It has a role as an alkylating agent and a metabolite. It is a phosphorodiamide, an organochlorine compound and a nitrogen mustard.

이름 및 식별자

우선 이름: 4-Hydroxycyclophosphamide
IUPAC: 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-ol
현지명: 4-히드록시시클로포스파미드
영어명: 4-hydroxycyclophosphamide
분자식: C7H15Cl2N2O3P
분자량: 277.09

이름 및 동의어

4-Hydroxycyclophosphamide40277-05-2NSC 196562NSC-1965621XBF4E50HSTetrahydro-2-(bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorin-4-ol 2-oxide2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-ol 2-oxideCHEBI:18642-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-ol 2-oxide2-(bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinan-4-ol 2-oxideRefChem:993072-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol

이름 더 보기

4-히드록시시클로포스파미드Cyclophosphamide Impurity 24-HydroxycyclophosphonamideCyclophosphamide Impurity 112H-1,3,2-Oxazaphosphorin-4-ol, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide(R,S)-4-Hydroxy Cyclophosphamide [4-Hydroperoxy Cyclophosphamide (5mg) and Sodium Thiosulfate (5mg) in Water] DISCONTINUED PLEASE SEE H926301

61903-30-82-(Bis(2-chloroethyl)amino)-4-hydroxy-1,3,2-oxazaphosphinane 2-oxide(R,S)-4-Hydroxy Cyclophosphamide(R,S)-4-Hydroxy Cyclophosphamide Preparation KitCCRIS 5125UNII-1XBF4E50HSBRN 0526395DTXSID90960669

데이터베이스 식별자

CAS: 40277-05-2
PubChem CID: 99735
DTXSID: DTXSID90960669
ChEMBL: CHEMBL731
ChEBI: CHEBI:1864
UNII: 1XBF4E50HS
Nikkaji: J65.704B

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 238

물리화학적 성질

끓는 점: 387.1 · 387.1±52.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
산도 계수 (pKa): 12.98 · 12.98±0.20(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Tissue LocationsKidney

Cellular LocationsExtracellular

Metabolite PathwaysCyclophosphamide Action Pathway

공급사17 곳

济南百隆化学有限公司[email protected] · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

广州九植医药科技有限公司020-89854820 · [email protected]

추가 설명

정의ChEBI: A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen.