rac5-하이드록시메틸톨테로딘

2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

HCID 9927971

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 200801-70-3
표준 SMILES: CC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C
InChIKey: DUXZAXCGJSBGDW-UHFFFAOYSA-N
분자식: C22H31NO2
평균 분자량: 341.5 g/mol
단동위원소 질량: 341.23547923

이름 및 식별자

우선 이름: 2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol
IUPAC: 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
현지명: rac5-하이드록시메틸톨테로딘
영어명: rac 5-Hydroxymethyl Tolterodine, 90% by HPLC
분자식: C22H31NO2
분자량: 341.49

이름 및 동의어

200801-70-32-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenolDTXSID804329812-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol2-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenolRefChem:1061044DTXCID403838092-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenolrac 5-Hydroxymethyl Tolterodine(Rac)-5-Hydroxymethyl TolterodineMFCD09840742rac 5-Hydroxymethyl Tolterodine, 90% by HPLC

이름 더 보기

rac5-하이드록시메틸톨테로딘Festerodine Diol5-Hydroxy TolterodineFesoterodine Impurity 4Fesoterodine?Diol?RacemateFesoterodine deacyl Impurity5-HydroxyMethyl Tolterodinel5-Hydroxymethyl rac-Tolterodineracemic 5-hydroxymethyl tolterodine

2-[3-(diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol2-{3-[bis(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenolBenzenemethanol, 3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-3-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanolTolterodine 5-Hydroxymethyl Analog RacemateN,N-Diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropan-1-amineDUXZAXCGJSBGDW-UHFFFAOYSA-NFesoterodine Impurity A

데이터베이스 식별자

CAS: 200801-70-3
PubChem CID: 9927971
DTXSID: DTXSID80432981
EC Number: 193-160-7
Nikkaji: J970.120F

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 25
형식 전하: 0
복잡도: 357

물리화학적 성질

녹는점: 52 · 52-53°C
끓는 점: 490.7 · 490.7±45.0 °C(Predicted)
밀도: 1.06 · 1.060±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.61 · 9.61±0.48(Predicted)
색상: 미색에서 옅은 노란색까지

화학적 성질

Light Beige Solid

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

응용 분야

용도rac 5-Hydroxymethyl Tolterodine can be used as a metabolite of Tolterodine, a muscarinic receptor antagonist used in the treatment of urinary incontinence.