메틸마이코페놀레이트(EP불순물E)

Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate

HCID 6478685CAS 31858-66-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O
InChIKey: ZPXRQFLATDNYSS-BJMVGYQFSA-N
분자식: C18H22O6
평균 분자량: 334.4 g/mol
단동위원소 질량: 334.14163842

이름 및 식별자

우선 이름: Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
IUPAC: methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
현지명: 메틸마이코페놀레이트(EP불순물E)
영어명: Methyl Mycophenolate (EP Impurity E)
분자식: C18H22O6
분자량: 334.36

이름 및 동의어

Methyl mycophenolate31858-66-9Mycophenolic Acid Methyl Ester0B5C0EG8E84-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl ester, (4E)-DTXSID501112946Methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoateMethyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoateRefChem:1089204DTXCID70154454724243-40-1Methyl Mycophenolate (EP Impurity E)

이름 더 보기

메틸마이코페놀레이트(EP불순물E)EP Impurity Emycophenolic EP Impurity EMycophenolate Mofetil EP IMP-EMethyl mycophenolate impurity EMycophenolate Mofetil Impurity EMethyl (4E)-6-(4-Hydroxy-6-methoxy-Methyl mycophenolate, 10 mM in DMSO

(E/Z)-Methyl mycophenolateMycophenolate Mofetil EP Impurity EMycophenolate methyl estermethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateCHEMBL237760(E)-Methyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoatemethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate(E)-methyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

데이터베이스 식별자

CAS: 31858-66-9
PubChem CID: 6478685
DTXSID: DTXSID501112946
ChEMBL: CHEMBL237760
UNII: 0B5C0EG8E8
EC Number: 642-332-4
Nikkaji: J2.135.783I

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 82.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 24
형식 전하: 0
복잡도: 500

물리화학적 성질

녹는점: 105 · 105-106°C
끓는 점: 540.4 · 540.4±50.0 °C(Predicted)
밀도: 1.222 · 1.222±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨, 초음파 처리)
물리적 상태: 고체
산도 계수 (pKa): 9.87 · 9.87±0.20(Predicted)
색상: 흰색에서 황백색까지

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

화학 및 산업

응용 분야

용도Degradation product of Mycophenolate mofetil. EP Impurity E

상·하류 제품 정보

상류 원료

하류 제품

4'-Desmethyl-6'-tosylmycophenolic acid 메틸4'-토실미코페놀레이트

공급사50 곳

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

연결된 노트

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