기본 정보
- 표준 SMILES
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl- InChIKey
SKYZYDSNJIOXRL-BTQNPOSSSA-N- 분자식
- C17H18ClNO2
- 평균 분자량
- 303.8 g/mol
- 단동위원소 질량
- 303.1026065
이름 및 식별자
- 우선 이름
- 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride (1:1), (6aR)-
- IUPAC
- (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride
- 현지명
- 아포몰핀하이드로클로라이드
- 영어명
- Apomorphine hydrochloride
- 분자식
- C17H18ClNO2
- 분자량
- 303.78
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
314-19-2- PubChem CID
- 9410
- DTXSID
DTXSID5040598- UNII
- 9K13MD7A0D
물성
구조 계산 물성
- 극성 표면적
- 43.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 374
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 250 ℃ · >250℃
- 저장 조건
- Store at RT
- 용해도
- 1.08 mg/mL · ≥1.08 mg/mL in EtOH with ultrasonic; ≥12.9 mg/mL in DMSO; ≥5.12 mg/mL in H2O
- 물리적 상태
- 고체
- EPA
- Apomorphine hydrochloride (314-19-2)
안전 및 규제
유해성 정보
Other Safety Information
IMAP assessments - 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, (R)-: Environment tier I assessment;IMAP assessments - 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, (R)-: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3249
- 독성
- mmo-sat 20 mg/plate MUREAV 137,17,84
- 포장분류
- III
- 위험 등급
- 6.1(b)
화학 및 산업
용도 및 제조
응용 분야
용도Emetic.
일반 설명Apomorphine hydrochloride,(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolone-10,11-diol hydrochloride (Apokyn), is awhite or off-white powder or crystal soluble in hot water(pKa=8.92). Apormorphine is an aporphine alkaloid of thebenzoquinoline class. Oral apomorphine is poorly absorbedand has a bioavailability of less than 4%. Upon subcutaneousadministration, apomorphine is completely absorbed. Within10 to 20 minutes, the maximum concentration of the drug isdistributed from the blood plasma to the CSF. Other potentialroutes of administration include continuous subcutaneous infusion,intravenous infusion, intranasal spray application,sublingual, and rectal administration.23 The agent is highlylipophilic in nature, allowing for rapid diffusion across theBBB after injection. Apomorphine has a short plasma halflife;however, clinical effects may last from 60 to 90 minutes.Apomorphine displays a significant degree of interpatientvariability in its pharmacokinetic profile. Studies of bothintravenous and subcutaneous injection routes found this variation was not attributable to body weight, age, gender,and duration of PD or L-DOPA dose/duration alone.Apomorphine is extensively metabolized. Hypothesizedroutes include sulfation, N-demethylation, glucuronidation,and oxidation. Subcutaneous injections of apomorphine arerenally and hepatically cleared, with the majority appearingto be renally cleared. Dosage adjustments are needed in bothliver and renal impairment. The activity of apomorphine isbelieved to be caused by stimulation of postsynaptic D1- andD2-type receptors within the caudate/putamen in the brain.Apomorphine is indicated for the acute, intermittent treatmentof hypomobility, “off” episodes (“end-of-dose wearingoff” and unpredictable on/off episodes) associated with advancedPD.
상·하류 제품 정보
상류 원료
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