기본 정보
- CAS
438-59-5- 표준 SMILES
CNCCC=C1c2ccccc2C=Cc2ccccc21.Cl- InChIKey
UZMPCPFDZYTEJG-UHFFFAOYSA-N- 분자식
- C19H20ClN
- 평균 분자량
- 297.8 g/mol
- 단동위원소 질량
- 297.1284273
이름 및 식별자
- 우선 이름
- 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
- IUPAC
- N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
- 영어명
- 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
- 분자식
- C19H20ClN
- 분자량
- 297.8218
이름 및 동의어
10,11-Didehydronortriptyline Hydrochloride3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium chlorideRefChem:493855207-118-3438-59-5Desmethyl Cyclobenzaprine HydrochlorideRo 4-60113-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine Hydrochloride1-Propanamine,3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-,hydrochloride (1:1)N 7068 hydrochlorideN-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
이름 더 보기
N-Desmethyl CyclobenzaprineNORTRIPTYLINE EP IMPURITY BCyclobenzaprine DesMethyl HClN-Desmethyl Cyclobenzaprine-d3Nortriptyline EP Impurity B HCl
Cyclobenzaprine USP RC B3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine hydrochloride1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-, hydrochlorideEINECS 207-118-3Desmethylcyclobenzaprine HClNorproheptatriene Hydrochloride1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, hydrochlorideDesmethylcyclobenzaprine hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 녹는점
- 175 · 175-177°C
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 미색부터 옅은 갈색까지
- 주요 응용
- 임상 시험
- InChI
- InChI=1S/C19H19N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-13,20H,6,14H2,1H3;1H
- InChIKey
- UZMPCPFDZYTEJG-UHFFFAOYSA-N
- SMILES
- [NH2+](CC/C=C1\C2=CC=CC=C2C=CC2=CC=CC=C2\1)C.[Cl-]
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- HS 번호
- 2921490002
- risk_code
- 11-23/24/25-39/23/24/25-51/53
- hazard_code
- F,T,N
- safety_code
- 16-36/37-45-61
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Flam. Liq. 2STOT SE 1
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Desmethyl Cyclobenzaprine is a metabolite of Cyclobenzaprine.
일반 설명A certified Snap-N-Spike Solution suitable for cyclobenzaprine testing methods by GC/MS or LC/MS for applications in pain prescription monitoring, forensic analysis, urine drug testing, or clinical toxicology. Also known as norcyclobenzaprine, N-desmethylcyclobenzaprine is the major urinary metabolite of the skeletal muscle relaxant cyclobenzaprine. Cyclobenzaprine, sold under trade names Flexeril, Fexmid, and Amrix, is used to relieve skeletal muscle spasms and associated pain from acute musculoskeletal conditions.
공급사47 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海策嵘生物科技有限公司[email protected]
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]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
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