기본 정보
- CAS
550-10-7- 표준 SMILES
COc1c2c(cc3c1OCO3)CCN(C)C2- InChIKey
XXANNZJIZQTCBP-UHFFFAOYSA-N- 분자식
- C12H15NO3
- 평균 분자량
- 221.25 g/mol
- 단동위원소 질량
- 221.10519334
이름 및 식별자
- 우선 이름
- Hydrocotarnine
- IUPAC
- 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
- 현지명
- 하이드로코타르닌
- 영어명
- hydrocotarnine
- 분자식
- C12H15NO3
- 분자량
- 221.25
이름 및 동의어
Hydrocotarnine550-10-74-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolineG22L6JNE614-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolineDTXSID602035355,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-4-methoxy-6-methyl-2H,5H,6H,7H,8H-(1,3)dioxolo(4,5-g)isoquinoline4-methoxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolineRefChem:147055
이름 더 보기
하이드로코타르닌8-Methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolineHydrocotarnine Hydrochloridehydrocotarnine, 10 mM in DMSONoscapine Impurity 3(Hydrocotarnine)5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinoline4-Methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline1,2,3,4-Tetrahydro-2-methyl-6,7-(methylenebisoxy)-8-methoxyisoquinoline4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrate hydrochloride
DTXCID90126026208-978-2Hydrocotarnin4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolineMFCD008685014-Methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinoline4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolineNCGC00016666-01
데이터베이스 식별자
- CAS
550-10-7- PubChem CID
- 3646
- DTXSID
DTXSID60203535- ChEMBL
CHEMBL1606295- ChEBI
CHEBI:92664- UNII
- G22L6JNE61
- EC Number
- 208-978-2
- Nikkaji
- J6.709A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 30.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 261
실험 및 물리화학적 성질
Melting Point55.5 - 56.5 °C
Physical DescriptionSolid
Kovats Retention Index1798；1790
물리화학적 성질
- 녹는점
- 56 °C · 56°C
- 끓는 점
- 362.31 °C · 362.31°C (rough estimate)
- 밀도
- 1.1514 · 1.1514 (rough estimate)
- 굴절률
- 1.52 · 1.5200 (estimate)
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.75 · 7.75±0.20(Predicted)
- 색상
- 연한 갈색에서 주황색까지
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
공급사21 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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