토세라닙

Toceranib

HCID 5329106

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 356068-94-5
표준 SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1
InChIKey: SRSGVKWWVXWSJT-ATVHPVEESA-N
분자식: C22H25FN4O2
평균 분자량: 396.5 g/mol
단동위원소 질량: 396.19615426

개요

See also: Toceranib Phosphate (active moiety of).

이름 및 식별자

우선 이름: Toceranib
IUPAC: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
현지명: 토세라닙
영어명: Toceranib
분자식: C22H25FN4O2
분자량: 396.46

이름 및 동의어

Toceranib356068-94-5PHA-291639UNII-59L7Y0530C59L7Y0530CDTXSID50189076toceranibumTOCERANIB (EMA EPAR VETERINARY)TOCERANIB [EMA EPAR VETERINARY](Z)-5-((5-FLUORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-N-(2-PYRROLIDIN-1-YLETHYL)-1H-PYRROLE-3-CARBOXAMIDE1H-PYRROLE-3-CARBOXAMIDE, 5-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-N-(2-(1-PYRROLIDINYL)ETHYL)-5-[(Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide

이름 더 보기

토세라닙CS-1158SU-11654PHA 291639Toceranib-d8Toceranib(SU 11654Toceranib,PHA-291639Toceranib DISCONTINUEDSU 11654PHA 291639

5-((Z)-(5-FLUORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-N-(2-(PYRROLIDIN-1-YL)ETHYL)-1H-PYRROLE-3-CARBOXAMIDERefChem:57436DTXCID80111567PalladiaToceranib free baseToceranib [USAN](Z)-5-(5-Fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidenemethyl)-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-3-carboxamideMFCD16038046

데이터베이스 식별자

CAS: 356068-94-5
PubChem CID: 5329106
DTXSID: DTXSID50189076
ChEMBL: CHEMBL13608
UNII: 59L7Y0530C
EC Number: 973-271-4
Nikkaji: J3.311.001D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 77.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 29
형식 전하: 0
복잡도: 663

실험 및 물리화학적 성질

Animal DrugsEMA approved medicines: Veterinary medicine

물리화학적 성질

녹는점: 133 °C · >133°C (dec.)
끓는 점: 596.8 · 596.8±50.0 °C(Predicted)
밀도: 1.293 · 1.293
저장 조건: room temp
용해도: DMSO(약간 용해됨, 가열), 메탄올(아주 적은 양으로 녹여라, 가열)
물리적 상태: 가루
산도 계수 (pKa): 11.7 · 11.70±0.20(Predicted)
색상: 노란색에서 주황색으로
InChIKey: SRSGVKWWVXWSJT-ATVHPVEESA-N
SMILES: Fc1cc2c(cc1)NC(=O)\C\2=C/c3[nH]c(c(c3C)C(=O)NCCN4CCCC4)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

ATC CodeQL - Antineoplastic and immunomodulating agents

상·하류 제품 정보

상류 원료

1H-Pyrrole-3-carboxamide, 5-formyl-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 5-플루오로-2-옥신돌 5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 3,5-디메틸피롤-2,4-디카르복실산2-t-부틸에스테르-4-에틸에스테르 2-아미노에틸-1-피롤리딘 트리에틸아민 N,N-다이메틸폼아마이드

공급사91 곳

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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