글리코옥시콜산나트륨염
Sodium glycodeoxycholate
기본 정보
- CAS
16409-34-0- 표준 SMILES
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+]- InChIKey
VMSNAUAEKXEYGP-YEUHZSMFSA-M- 분자식
- C26H42NNaO5
- 평균 분자량
- 471.6 g/mol
- 단동위원소 질량
- 471.29606772
개요
Sodium glycodeoxycholate is a bile acid salt that is the sodium salt of glycodeoxycholic acid. It has a role as a human metabolite. It is a bile acid salt and an organic sodium salt. It contains a glycodeoxycholate.
이름 및 식별자
- 우선 이름
- Sodium glycodeoxycholate
- IUPAC
- sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoyl]amino]acetate
- 현지명
- 글리코옥시콜산나트륨염
- 영어명
- Glycodeoxycholic acid sodium salt
- 분자식
- C26H43NO5.Na
- 분자량
- 472.61
이름 및 동의어
Sodium glycodeoxycholate16409-34-0Glycodeoxycholic acid sodium saltSodium glycyldeoxycholateUNII-6W76V75MT16W76V75MT1EINECS 240-455-4Sodium N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)aminoacetateCHEBI:87819Glycodeoxycholic Acid, Sodium SaltJ286.892Jsodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
이름 더 보기
글리코옥시콜산나트륨염GDCAGlycodeoxycholic Acid, Sodiutcag7.1053GDCA, SODIUM SALTgustducin alpha-3Sodium glycydesoxycholateGlycodeoxycholate (Sodium)SodiumGlycodeoxycholate>
sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetateGlycine, N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-, monosodium saltGLYCINE, N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-, MONOSODIUM SALTGlycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)N-((3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINOACETATEN-(2-OXO-2-(SODIOOXY)ETHYL)-3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLANE-24-AMIDEN-(3.ALPHA.,12.ALPHA.-DIHYDROXY-24-OXO-5.BETA.-CHOLAN-24-YL)GLYCINE SODIUM SALTSodium N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]aminoacetate
물성
구조 계산 물성
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 733
물리화학적 성질
- 녹는점
- 245 · 245-250 °C
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 2 O: · H2O: 0.1 M at 20 °C, 투명, 무색
- 물리적 상태
- 흰색 고체
- 산도 계수 (pKa)
- 4.8 · 4.8
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- goat
- 수용성
- 10 mg/mL · water: 10mg/mL
- 안정성
- 흡습성
- InChIKey
- VMSNAUAEKXEYGP-YEUHZSMFSA-M
- SMILES
- [C@@]12([H])CC[C@H]([C@H](C)CCC(=O)NCC([O-])=O)[C@@]1(C)[C@H](C[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])CC[C@@]21[H])O.[Na+] |&1:0,4,5,16,18,20,22,26,29,33,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationGlycodeoxycholic acid sodium: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- MB9670000
- HS 번호
- 29221990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Sodium glycodeoxycholate has been used in a study to develop more similar mimetic intestinal fluids to physiological fluids than those developed by mixed bile salt systems (MBS). It has also been used in a study to investigate Ca2+ buffering capability of bile salt micelles.
일반 설명Sodium glycodeoxycholate is a bile salt that can be used to form biomimicking environments.
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