Cholesteryl hemisuccinate

HCID 65082CAS 1510-21-0

기본 정보

표준 SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N
분자식
C31H50O4
평균 분자량
486.7 g/mol
단동위원소 질량
486.37091008

개요

Cholesteryl hemisuccinate is a dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. It has a role as a detergent. It is a cholestane ester, a hemisuccinate and a dicarboxylic acid monoester. It is functionally related to a cholesterol.

이름 및 식별자

우선 이름
Cholesteryl hemisuccinate
IUPAC
4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

이름 및 동의어

Cholesteryl hemisuccinate1510-21-0Cholesteryl succinatemonocholesteryl succinateT3J4KS4201CHEBI:138742NSC-628321RefChem:576072216-148-6Cholesterol Hydrogen SuccinateCholesterol hemisuccinateCHEMS
이름 더 보기
Cholesteryl hydrogen succinateMFCD000377054-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acidCholest-5-en-3beta-yl hydrogen succinateSuccinic Acid Monocholesterol Ester3-cholesteryloxycarbonylpropanoic acidCholest-5-en-3-ol (3.beta.)-, hydrogen butanedioateCholest-5-en-3-ol (3beta)-, 3-(hydrogen butanedioate)

데이터베이스 식별자

CAS
1510-21-0
PubChem CID
65082
DTXSID
DTXSID10934145
ChEBI
CHEBI:138742
UNII
T3J4KS4201
EC Number
216-148-6
Nikkaji
J206.716A

물성

구조 계산 물성

XLogP
8.5
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
10
무거운 원자 수
35

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (100%)

관련 반응

6건

연결된 노트

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