케토코나졸의1-아세틸-4-(4-히드록시페닐)피페라진측쇄

Ethyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate

HCID 2430972CAS 67914-99-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)N1CCN(c2ccc(O)cc2)CC1
InChIKey: KHOWEYYVJZGGIU-UHFFFAOYSA-N
분자식: C13H18N2O3
평균 분자량: 250.29 g/mol
단동위원소 질량: 250.13174244

이름 및 식별자

우선 이름: Ethyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
IUPAC: ethyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
현지명: 케토코나졸의1-아세틸-4-(4-히드록시페닐)피페라진측쇄
영어명: 1-Acetyl-4-(4-hydroxyphenyl)piperazine side chain of Ketoconazole
분자식: C13H18N2O3
분자량: 250.29

이름 및 동의어

ethyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate67914-99-2Enamine_005635MLS0005701881-Acetyl-4-(4-hydroxyphenyl)piperazine side chain of Ketoconazoleethyl 4-(4-hydroxyphenyl)-1-piperazinecarboxylateAC1M6VK2SCHEMBL5542804SCHEMBL5542809CHEMBL1569952KHOWEYYVJZGGIU-UHFFFAOYSA-NDTXSID601231004

이름 더 보기

케토코나졸의1-아세틸-4-(4-히드록시페닐)피페라진측쇄1-carbethoxy-4-(4-hydroxyphenyl1-carbethoxy-4-(4-hydroxyphenyl) piperazine4-(4-Hydroxyphenyl)-1-piperazinecarboxylic acid ethyl ester4-(4-hydroxy-phenyl)-piperazine-1-carboxylic acid ethyl ester1-Piperazinecarboxylic acid, 4-(4-hydroxyphenyl)-, ethyl ester

HMS1410A03HMS2334N11AKOS008929766IDI1_007870SMR0001502071-Carbethoxy-4-(4-hydroxyphenyl)piperazineDS-017315SR-01000042937

데이터베이스 식별자

CAS: 67914-99-2
PubChem CID: 2430972
DTXSID: DTXSID601231004
ChEMBL: CHEMBL1569952
EC Number: 614-166-2

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 53 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 269

물리화학적 성질

InChI: InChI=1S/C13H18N2O3/c1-2-18-13(17)15-9-7-14(8-10-15)11-3-5-12(16)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKey: KHOWEYYVJZGGIU-UHFFFAOYSA-N
SMILES: N1(C(OCC)=O)CCN(C2=CC=C(O)C=C2)CC1

화학 및 산업

공급사29 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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

常州市华阳科技有限公司+8615250961469 · [email protected]

湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]

张家港保税区凯利特化工有限公司18606289633 15862625988 · [email protected]

연결된 노트

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