메틸케노데옥시콜레이트

Methyl chenodeoxycholate

HCID 11069533

기본 정보

CAS
3057-04-3
표준 SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
GRQROVWZGGDYSW-IFJDUOSNSA-N
분자식
C25H42O4
평균 분자량
406.6 g/mol

이름 및 식별자

우선 이름
Methyl chenodeoxycholate
IUPAC
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
현지명
메틸케노데옥시콜레이트
영어명
Methyl chenodeoxycholate
분자식
C25H42O4
분자량
406.6

이름 및 동의어

Methyl chenodeoxycholate48O35JP4YICholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7alpha)-RefChem:10895543057-04-3Chenodeoxycholic acid methyl esterMFCD00232923Methyl chenodoxycholateCHEMBL273086(R)-Methyl 4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoatemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateMethyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-oate
이름 더 보기
메틸케노데옥시콜레이트CDCA-MEObeticholic Acid Impurity 41Urosodeoxycholic Acid EP Impurity OMethyl 3α,7α-Dihydroxy-5β-cholanoateMethyl 3α,7α-Dihydroxy-5β-cholan-24-oateMethyl 3α,7α-Dihydroxy-5β-cholan-24-oate
Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-Chenodeoxycholic acid methylMethyl chenodesoxycholateMethyl 3|A,7|A-Dihydroxy-5|A-cholan-24-oateUNII-48O35JP4YISCHEMBL5933953alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid Methyl esterBDBM50375562

데이터베이스 식별자

CAS
3057-04-3
PubChem CID
11069533
ChEMBL
CHEMBL273086
UNII
48O35JP4YI
Nikkaji
J21.482E

물성

구조 계산 물성

XLogP
5.2
극성 표면적
66.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
29

물리화학적 성질

녹는점
85 · 85-94 °C
끓는 점
507.6 · 507.6±25.0 °C(Predicted)
밀도
1.089 · 1.089±0.06 g/cm3(Predicted)
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올
물리적 상태
고체

화학적 성질

White Solid

화학 및 산업

응용 분야

용도A bile acid with hemolytic properties. Inhibits the initiation of Clostridium difficile spore germination. Anti-inflamatiory activity.

공급사42 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
清宁生物(江苏博泉生物科技有限公司)19352250998 · [email protected]
Bridge Organics+1269-649-4200 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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