CAS 441741-66-8 Panobinostat Carboxylic Acid Methyl Ester Hydrochloride (HCID 23652684)

기본 정보

CAS: 441741-66-8
표준 SMILES: COC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1.Cl
InChIKey: SLJZCNYOFBVRSA-CALJPSDSSA-N
분자식: C22H25ClN2O2
평균 분자량: 384.9 g/mol
단동위원소 질량: 384.16045572

이름 및 식별자

우선 이름: Panobinostat Carboxylic Acid Methyl Ester Hydrochloride
IUPAC: methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate;hydrochloride
현지명: 파노비노스타트카르복실산메틸에스테르염산염
영어명: Panobinostat Carboxylic Acid Methyl Ester Hydrochloride
분자식: C22H25ClN2O2
분자량: 384.9

이름 및 동의어

441741-66-8Panobinostat Carboxylic Acid Methyl Ester Hydrochloridemethyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate;hydrochlorideSLJZCNYOFBVRSA-CALJPSDSSA-NSCHEMBL1690962DTXSID00635336METHYL (2E)-3-[4-({[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO}METHYL)PHENYL]PROP-2-ENOATE HYDROCHLORIDE(E)-3-(4-{[2-(2-methyl-1 H-indol-3-yl)-ethylamino]-methyl]-phenyl)-acrylic acid methyl ester hydrochloride salt(E)-3-(4-{[2-(2-methyl-1H-indol-3-yl)-ethylamino]-methyl]-phenyl)-acrylic acid methyl ester hydrochloride salt(E)-3-(4-{[2-(2-methyl-1H-indol-3-yl)-ethylamino]-methyl]phenyl)-acrylic acid methyl ester hydrochloride salt3-(4-{[2-(2-methyl-1H-indol-3-yl)-ethylamino]-methyl}-phenyl)-(2 E)-2-propenoic acid methyl ester hydrochloride3-(4-{[2-(2-methyl-1H-indol-3-yl)-ethylamino]-methyl}-phenyl)-(2E)-2-propenoic acid methyl ester hydrochloride

이름 더 보기

파노비노스타트카르복실산메틸에스테르염산염Cyprofuram Impurity 2Paprixostat Impurity 1Methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate,hydrochloride

물성

구조 계산 물성

극성 표면적: 54.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 27
형식 전하: 0
복잡도: 471

물리화학적 성질

용해도: 클로로포름, 디클로로메탄에 용해됨
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C22H24N2O2.ClH/c1-16-19(20-5-3-4-6-21(20)24-16)13-14-23-15-18-9-7-17(8-10-18)11-12-22(25)26-2;/h3-12,23-24H,13-15H2,1-2H3;1H/b12-11+;
InChIKey: SLJZCNYOFBVRSA-CALJPSDSSA-N
SMILES: C(C1=C(NC2=CC=CC=C12)C)CNCC1C=CC(/C=C/C(=O)OC)=CC=1.Cl