基本情報
- CAS
339-43-5- 標準SMILES
CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1- InChIKey
VDTNNGKXZGSZIP-UHFFFAOYSA-N- 分子式
- C11H17N3O3S
- 平均分子量
- 271.34 g/mol
- 単同位体質量
- 271.09906259
概要
Carbutamide is a member of benzenes and a sulfonamide.
名称と識別子
- 優先名称
- Carbutamide
- IUPAC
- 1-(4-aminophenyl)sulfonyl-3-butylurea
- 現地名
- 1-ブチル-3-スルファニリル尿素
- 英語名
- carbutamide
- 分子式
- C11H17N3O3S
- 分子量
- 271.34
名称と別名
Carbutamide339-43-5GlybutamideEmedanInvenolButisulfinaGlucidoralGlucofrenDiaboralOrasulinBurcolNadisan
名称をさらに表示
オラニルエメダン1-ブチル-3-スルファニリル尿素カルブタミドオラスリンナジサンインベノールU-6987OranilBucarban
AminophenurobutaneBukarbanNorboralAlentinBucrolInbutonNadizanOranyl
データベース識別子
- CAS
339-43-5- PubChem CID
- 9564
- DTXSID
DTXSID8022741- ChEMBL
CHEMBL448570- ChEBI
CHEBI:135118- UNII
- E3K8P4869P
- EC Number
- 206-424-4
- Nikkaji
- J5.684G
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 356
実験および物理化学的性質
SpringerMaterials PropertiesCrystal structure
LogP
log Kow= 1.01
1.18
Color/FormCrystals
Solubility
Sol in water at pH 5 to 8.
In water, 535 mg/l @ 37 °C
Melting Point144-145 °C
Collision Cross Section165.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8022741]
物理化学的性質
- 融点
- 144 · 144-145°
- 比重(密度)
- 1.284 · 1.2840 (rough estimate)
- 屈折率
- 1.663 · 1.6630 (estimate)
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 5.75 · pKa 5.75(H2O t=25±0.02 I=0.2) (Uncertain)
- 色
- オフホワイトからペールベージュ
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (97.5%): 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.
危険有害性情報
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-[(butylamino)carbonyl]-: Human health tier I assessment
FDA Requirements
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Interactions
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Mechanism of Action
SULFONYLUREAS STIMULATE ISLET TISSUE TO SECRETE INSULIN. ... SULFONYLUREAS CAUSE DEGRANULATION OF THE BETA CELLS, A PHENOMENON ASSOCIATED WITH INCR RATE OF SECRETION OF INSULIN. ...THEY ARE EFFECTIVE IN INSULIN-INDEPENDENT DIABETIC PATIENTS IN WHOM THE PANCREAS RETAINS THE CAPACITY TO SECRETE INSULIN. /SULFONYLUREAS/
Metabolism/Metabolites
...IN MAN APPROX ONE-THIRD OF THE EXCRETED DOSE IS REPRESENTED BY THE N-ACETYLATED METABOLITE. LARGE SPECIES VARIATIONS HAVE BEEN DETECTED; THE RABBIT PRODUCES SIGNIFICANT AMT...WHILE MONKEY & DOGS ARE LOW OR VERY LOW ACETYLATORS & MAN OCCUPIES AN INTERMEDIATE POSITION.
THEY ARE HYDROXYLATED IN THE LIVER TO ACTIVE & INACTIVE PRODUCTS WHICH ARE ALMOST TOTALLY EXCRETED IN THE URINE. /SULFONYLUREAS/
MeSH Pharmacological ClassificationSubstances which lower blood glucose levels.
Absorption, Distribution and Excretion
THE SULFONYLUREAS ARE READILY ABSORBED FROM THE GI TRACT. THE MOST IMPORTANT DIFFERENCE AMONG THE SULFONYLUREAS, FOR CLINICAL PURPOSE, IS IN THEIR DURATION OF ACTION... /SULFONYLUREAS/_
SULFONYLUREAS ARE LARGELY BOUND TO PLASMA PROTEINS & ARE DISTRIBUTED IN THE EXTRACELLULAR SPACE. /SULFONYLUREAS/
用途と製造
Uses
Therap cat: Antidiabetic
MEDICATION (VET)
U.S. Production
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Methods of Manufacturing
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