CAS 79815-18-2 H-Tpi-ome hcl (HCID 12655248)

기본 정보

CAS: 79815-18-2
표준 SMILES: COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1.Cl
InChIKey: JQYBNWMURCUTIC-MERQFXBCSA-N
분자식: C13H15ClN2O2
평균 분자량: 266.72 g/mol
단동위원소 질량: 266.0822054

이름 및 식별자

우선 이름: H-Tpi-ome hcl
IUPAC: methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
현지명: (S)-2,3,4,9-테트라히드로-1H-피리돌[3,4-b]-3-인돌카르복실산메틸에스테르
영어명: (S)-2,3,4,9-Tetrahydro-1H-pyridol[3,4-b]-3-indolecarboxylic acid methyl ester
분자식: C13H14N2O2
분자량: 230.26

이름 및 동의어

H-Tpi-ome hcl83159-19-7H-Tpi-OMe hydrochlorideMETHYL (3S)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE HYDROCHLORIDEMFCD10042201(S)-Methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloridemethyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochlorideMethyl (S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, methylester, monohydrochloride, (S)-L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid methyl ester hydrochlorideH-Tpi-omehclSCHEMBL9789674

이름 더 보기

(S)-2,3,4,9-테트라히드로-1H-피리돌[3,4-b]-3-인돌카르복실산메틸에스테르(S)-2-Tryptoline-3-carboxylic acid methyl estermethyl (3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylatemethyl (3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylatemethyl 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride(S)-Methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate - [M92114](S)-2,3,4,9-Tetrahydro-1H-pyridol[3,4-b]-3-indolecarboxylic acid methyl ester

물성

구조 계산 물성

극성 표면적: 54.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 143 · 143-145 °C
끓는 점: 401.9 · 401.9±45.0 °C(Predicted)
밀도: 1.262 · 1.262±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 17.21 · 17.21±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

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

용도Methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is used in the synthesis of β-carboline-(phenylsulfonyl)furoxan hybrids as anti-cancer targets.

공급사7 곳

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]

箴德化工科技（上海）有限公司15601952568 · [email protected]

北京珐默兹医药科技有限公司15811073878 · [email protected]

湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]

화합물 노트

불러오는 중…

(S)-2,3,4,9-테트라히드로-1H-피리돌[3,4-b]-3-인돌카르복실산메틸에스테르