기본 정보
- CAS
199463-33-7- 표준 SMILES
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C- InChIKey
LECZXZOBEZITCL-UHFFFAOYSA-N- 분자식
- C22H23FN4
- 평균 분자량
- 362.4 g/mol
- 단동위원소 질량
- 362.19067491
이름 및 식별자
- 우선 이름
- Revaprazan
- IUPAC
- N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
- 현지명
- 레바프라잔
- 영어명
- Revaprazan
- 분자식
- C22H23FN4
- 분자량
- 362.44
이름 및 동의어
Revaprazan199463-33-7RevanexYH-1885 FREE BASESB-6412575P184180P5REVAPRAZANUMRefChem:179017Revaprazan [INN]N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine4-(3,4-dihydro-1-methyl-2(1h)-isoquinolinyl)-n-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamineN-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
이름 더 보기
레바프라잔YH 1885 free base2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-
N-(4-FLUOROPHENYL)-4,5-DIMETHYL-6-[(1S)-1-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PYRIMIDIN-2-AMINEUNII-5P184180P5199463-33-7 (free base)MFCD26405757REVAPRAZAN [MI]SB 641257REVAPRAZAN [MART.]REVAPRAZAN [WHO-DD]
데이터베이스 식별자
- CAS
199463-33-7- PubChem CID
- 204104
- DTXSID
DTXSID10870216- ChEMBL
CHEMBL1618279- ChEBI
CHEBI:135529- UNII
- 5P184180P5
- Nikkaji
- J887.970B
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 481
물리화학적 성질
- 끓는 점
- 559.3 · 559.3±60.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.77 · 7.77±0.10(Predicted)
- InChI
- InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)
- InChIKey
- LECZXZOBEZITCL-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=C(F)C=C2)=NC(C)=C(C)C(N2CCC3=C(C2C)C=CC=C3)=N1
화학 및 산업
응용 분야
용도Treatment of peptic ulcer, gastric ulcer, duodenal ulcer, and GERD (acid pump antagonist).
공급사30 곳
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