Glibornuride
기본 정보
- CAS
26944-48-9- 표준 SMILES
Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1- InChIKey
RMTYNAPTNBJHQI-LLDVTBCESA-N- 분자식
- C18H26N2O4S
- 평균 분자량
- 366.5 g/mol
- 단동위원소 질량
- 366.16132849
개요
Glibornuride is a monoterpenoid.
이름 및 식별자
- 우선 이름
- Glibornuride
- IUPAC
- 1-[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea
- 영어명
- Glibornuride
- 분자식
- C18H26N2O4S
- 분자량
- 366.47504
이름 및 동의어
GLIBORNURIDE26944-48-9GlibornuridaGlutrilGlibornuridumRo 6-4563Ro-6-4563VP83E7434RRo-64563Ro 6-4563/8DTXSID0010169371-((1R)-2-endo-Hydroxy-3-endo-bornyl)-3-(p-tolylsulfonyl)urea
이름 더 보기
N-((3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)carbamoyl)-4-methylbenzenesulfonamideGlitrimGlibornuridGlibornuride USP/EP/BPGlibornuride in MethanolGlibornuride, 10 mM in DMSOGlibornuride (Mixture of Diastereomers)Glibornuride Solution in Acetonitrile/Water, 1000μg/mL
Urea, 1-(2-hydroxy-3-bornyl)-3-(p-tolylsulfonyl)-, (1R,2R,3S,4S)-RefChem:143335A10BB04DTXCID401475121248-124-63-((1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo(2.2.1)heptan-2-yl)-1-(4-methylbenzenesulfonyl)urea1-[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylureaMFCD00869202
데이터베이스 식별자
- CAS
26944-48-9- PubChem CID
- 12818200
- DTXSID
DTXSID001016937- ChEMBL
CHEMBL529888- ChEBI
CHEBI:135545- UNII
- VP83E7434R
- EC Number
- 248-124-6
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 634
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point193-195
물리화학적 성질
- 녹는점
- 192 · 192-195° (ethanol-water); also reported as 195-198°
- 밀도
- 1.1793 · 1.1793 (rough estimate)
- 굴절률
- 1.693 · 1.6930 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 250 mg/mL · DMSO : 250 mg/mL (682.17 mM; Need ultrasonic)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 5.2 · 5.20±0.10(Predicted)
- 색상
- White to off-white
- InChIKey
- RMTYNAPTNBJHQI-LLDVTBCESA-N
- SMILES
- C1(S(NC(N[C@@H]2[C@H](O)[C@@]3(C)C(C)(C)[C@]2([H])CC3)=O)(=O)=O)=CC=C(C)C=C1
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological ClassificationSubstances which lower blood glucose levels.
응용 분야
용도Glibornuride has been shown to antagonize the relaxant response to the K+ channel opener cromakalim and produce airway smooth muscle relaxation. Glibornuride is associated with lactic acidosis and hypoglycemia in patients with type 2 diabetes melitus.
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