기본 정보
- CAS
52371-38-7- 표준 SMILES
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl- InChIKey
XTSOELQVDLSJFM-RVXRQPKJSA-N- 분자식
- C17H20ClN
- 평균 분자량
- 273.8 g/mol
- 단동위원소 질량
- 273.12842732
이름 및 식별자
- 우선 이름
- 1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
- IUPAC
- (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
- 현지명
- SertralineEP불순물B
- 영어명
- Sertraline EP IMpurity B
- 분자식
- C17H19N.ClH
- 분자량
- 273.8
이름 및 동의어
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-52371-38-7DTXSID20200388cis-1,2,3,4-Tetrahydro-1-amino-N-methyl-4-phenylnaphthalene hydrochloridecis-N-Methyl-4-phenyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochlorideRefChem:232387DTXCID2012287952758-05-1rac-cis-3,4-Deschlorosertraline(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride55056-87-6
이름 더 보기
SertralineEP불순물BSetraline impurity BSertraline EP IMpurity BSertraline EP Impurity B HClSertraline EP Impurity B HCI(1RS,4RS)-N-Methyl-4-phenyl-1,2,3,4Sertraline hydrochloride Impurity 1Sertraline Impurity 35 HydrochlorideSertraline Impurity 2（Sertraline EP Impurity B）Sertraline Hydrochloride Impurity B as HydrochlorideSertraline Hydrochloride EP Impurity B as Hydrochloride
(1RS,4RS)-N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine HydrochlorideCHEMBL1788365Sertraline Hydrochloride Imp. B (EP); Sertraline Imp. B (EP); (1RS,4RS)-N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride; Sertraline Hydrochloride Imp. B (EP) as Hydrochloride; Sertraline Hydrochloride Impurity B as Hydrochloride; Sertraline Impurity B as HydrochlorideXYL4D262MT97E5ZJA2A3SCHEMBL3147904Tametraline hydrochloride, cis-SCHEMBL30083943
물성
구조 계산 물성
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 256
물리화학적 성질
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/s3
- InChIKey
- XTSOELQVDLSJFM-ZXIWTAKENA-N
- SMILES
- N([C@H]1CC[C@@H](C2C=CC=CC=2)C2=CC=CC=C12)C.Cl |&1:1,4,r|
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, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
화학 및 산업
응용 분야
용도rac-cis-3,4-Deschlorosertraline (Sertraline EP Impurity B) is a derivative of the antidepressant compound Sertraline (S280000). It has also been studied for effects on uptake of norephinephrine.
공급사8 곳
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
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