基本情報
- CAS
316-41-6- 標準SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O=S(=O)([O-])[O-]- InChIKey
OJVABJMSSDUECT-UHFFFAOYSA-L- 分子式
- C40H36N2O12S
- 平均分子量
- 768.8 g/mol
- 単同位体質量
- 768.19889576
概要
See also: Berberine (annotation moved to).
名称と識別子
- 優先名称
- Berberine sulfate anhydrous
- IUPAC
- bis(16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene);sulfate
- 現地名
- ベルベリン硫酸塩水和物
- 英語名
- BERBERINE SULFATE TRIHYDRATE
- 分子式
- C20H18NO8S-
- 分子量
- 432.42
名称と別名
Berberine sulphateBerberin sulfateBerberine sulfate (2:1)Neutral berberine sulfateErbenBerberine sulfate anhydrousFST3E667FFBenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (2:1)Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydr0-9,10-dimethoxy-, sulfate (2:1)Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (2:1)NSC-5355RefChem:1079543
名称をさらに表示
ベルベリン硫酸塩水和物ベルベリン硫酸塩 HYDRATEベルベリン硫酸塩ベルベリン硫酸塩N水和物ベルベリン硫酸塩水和物 (JAN)エルベン2ベルベリン・硫酸ジアニオンビスベルベリン・スルファート硫酸ベルベリンfate(2:1)berberinsuulfate(2:1)berberinsulfateberberinesulfate(2:1)Berberine sulfate 98%Beriberisulfatehydrateneutralberberinesulfate
206-258-2Berberine sulfateBerberine hemisulfate6190-33-6BerberalBerberine sulfate hydrateAI3-61947Berberine.sulfate.3H20
物性
構造計算による物性
- 極性表面積
- 170 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 4
- 重原子数
- 55
- 形式電荷
- 0
- 複雑度
- 551
実験および物理化学的性質
Color/FormYELLOW CRYSTALS
SolubilityINSOL IN CHLOROFORM /TRIHYDRATE/
DecompositionDISASTER HAZARD: DANGEROUS; WHEN HEATED TO DECOMPOSITION, EMITS HIGHLY TOXIC FUMES. /BERBERINE/
Other Experimental Properties
RED-YELLOW NEEDLES /TRIHYDRATE/
YELLOW NEEDLES /TRIHYDRATE/
SOLUBLE IN ABOUT 30 PARTS WATER, IN ALC /TRIHYDRATE/
物理化学的性質
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- powder to crystal
- 色
- オフホワイトから黄色の粉末
- 水溶解度
- ほとんど透明
- Merck
- 14 · 14,1154
- InChIKey
- OJVABJMSSDUECT-UHFFFAOYSA-L
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, 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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (100%)
毒性情報
Human Toxicity Excerpts
TOXIC DOSES DEPRESS HEART (DIRECTLY & REFLEXLY THROUGH THE VAGUS), RELAX BLOOD VESSELS, DEPRESS RESPIRATIONS, & STIMULATE SMOOTH MUSCLE IN INTESTINES, BRONCHI, & POSSIBLY UTERUS. /BERBERINE/
AN ALKALOID POISON. IN TOXIC DOSES IT LOWERS TEMPERATURE, INCREASES PERISTALSIS, AND CAUSES DEATH BY CENTRAL PARALYSIS. /BERBERINE/
TOXIC BY INGESTION, INHALATION, AND SKIN ABSORPTION. /BERBERINE/
Non-Human Toxicity Excerpts
HISTOPATHOLOGICAL EXAM REVEALED NO CHANGES IN TISSUES & ORGANS OF RATS EVEN IN CASES WHEN BERBERINE SULFATE WAS GIVEN FOR 6 WK IN 0.5 G/KG DAILY ORAL DOSES.
BERBERINE SULFATE (10-15 MG/KG, IP) DEPRESSED CNS AND CAUSED LACRIMATION, PILOMOTOR ERECTION, & PTOSIS IN MICE. IT CAUSED A MARKED TAMING EFFECT AS EVIDENCED BY BODY GRASP & HEAD TAP TEST. PENTOBARBITONE SLEEPING TIME WAS MARKEDLY INCREASED.
ORALLY ADMIN BERBERINE SULFATE SHOWED LOW TOXICITY DUE TO POOR ABSORPTION FROM DIGESTIVE TRACT. IP ADMIN RESULTED IN HIGH TOXICITY.
Probable Routes of Human ExposureSHOULD NOT BE HANDLED EXCESSIVELY, SINCE IT MAY BE ABSORBED THROUGH THE SKIN AND HAVE TOXIC EFFECT UPON THE BODY. /BERBERINE/
化学と産業
薬理情報
Absorption, Distribution and Excretion...MAY BE ABSORBED THROUGH THE SKIN... /BERBERINE/
用途と製造
UsesMEDICATION
General Manufacturing Information
/BERBERINE IS/ ALKALOID, USUALLY AS SULFATE; OBTAINED FROM RHIZOMES AND ROOTS OF HYDRASTIS CANADENSIS.
/BERBERINE/...BEHAVES AS A QUATERNARY BASE, FORMING SALTS BY REPLACEMENT OF THE OH GROUP: PERKIN, JR, J CHEM SOC 113, 503 (1918). /BERBERINE/
応用分野
使用Various beneficial effects on the cardiovascular system and significant anti-inflammatory activities.Berberine has been shown to lower elevated blood glucose as effectively as metformin.Berberine seems to act as an herbal antidepressant and a neuroprotect
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