Carbenoxolone

HCID 636403
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기본 정보

CAS
5697-56-3
표준 SMILES
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIKey
OBZHEBDUNPOCJG-WBXJDKIVSA-N
분자식
C34H50O7
평균 분자량
570.8 g/mol
단동위원소 질량
570.35565394

개요

An agent derived from licorice root. It is used for the treatment of digestive tract ulcers, especially in the stomach. Antidiuretic side effects are frequent, but otherwise the drug is low in toxicity.

이름 및 식별자

우선 이름
Carbenoxolone
IUPAC
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
영어명
Carbenoxolone
분자식
C34H50O7
분자량
570.76

이름 및 동의어

carbenoxolone5697-56-3CarbenoxolonaCarbenoxolonumMM6384NG73DTXSID4022733(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acidOlean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3beta,20beta)-(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(3beta,20beta)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid18alpha CarbenoxoloneCarbeneoxolone
이름 더 보기
bioralbiogastroneCarbenoxolonCARBENOXOLONE [UCarbenoxolone-d4CARBENOXOLONE(RG)glycyrrhetnic acidCarbenoxolone (YP 003)
CarbenoxaloneGlycyrrhetinic acid hydrogen succinateRefChem:123513DTXCID702733A02BX0118alpha Glycyrrhetinic Acid 3beta O Hemisuccinate18alpha-Glycyrrhetinic Acid 3beta-O-Hemisuccinate3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic Acid

데이터베이스 식별자

CAS
5697-56-3
PubChem CID
636403
DTXSID
DTXSID4022733
ChEMBL
CHEMBL499915
UNII
MM6384NG73
EC Number
227-174-2
Nikkaji
J209.322G

물성

구조 계산 물성

XLogP
6.4
극성 표면적
118 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
41

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section243.71 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
291 · 291-294 °C
끓는 점
553.75 °C · 553.75°C (rough estimate)
밀도
1.2 · 1.20
굴절률
1.582 · 1.5820 (estimate)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

유해성 정보

Regulatory InformationChemical: Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-
Other Safety InformationIMAP assessments - Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-: Human health tier I assessment

안전 데이터

tsca
TSCA listed
독성
LD50 orl-rat: 2450 mg/kg OYYAA2 19,323,80

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

MeSH Pharmacological Classification · 1건

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

용도 및 제조

General Manufacturing InformationOlean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-: INACTIVE

응용 분야

용도Glucocorticoid.

상·하류 제품 정보

공급사88 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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