基本情報
- CAS
3599-32-4- 標準SMILES
CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.[Na+]- InChIKey
MOFVSTNWEDAEEK-UHFFFAOYSA-M- 分子式
- C43H47N2NaO6S2
- 平均分子量
- 775 g/mol
- 単同位体質量
- 774.27732385
概要
Indocyanine green is a cyanine dye, a benzoindole and a 1,1-diunsubstituted alkanesulfonate.
名称と識別子
- 優先名称
- Indocyanine Green
- IUPAC
- sodium 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
- 現地名
- インドシアニングリーン
- 英語名
- Indocyanine green
- 分子式
- C43H49N2NaO6S2
- 分子量
- 776.98
名称と別名
indocyanine greenWofaverdinCardiogreen3599-32-4Fox GreenIC-GreenCardio-GreenHWD Indocyanine GreenUjoviridinNK 1611UjoveridinCardio Green
名称をさらに表示
インドシアニングリーンジアノグリーンカルジオグリーン1,1-ジメチル-2-[7-[1,1-ジメチル-3-[4-(ソジオオキシスルホニル)ブチル]-2,3-ジヒドロ-1H-ベンゾ[e]インドール-2-イリデン]-1,3,5-ヘプタトリエニル]-3-(4-スルホナトブチル)-1H-ベンゾ[e]インドール-3-イウム2-[7-[1,3-ジヒドロ-1,1-ジメチル-3-(4-ソジオスルホブチル)-2H-ベンゾ[e]インドール-2-イリデン]-1,3,5-ヘプタトリエニル]-1,1-ジメチル-3-(4-スルホナトブチル)-1H-ベンゾ[e]インドール-3-イウムウォファベルジンHWDインドシアニングリーンウジョビリジンジアグノグリーン2-[7-[1,3-ジヒドロ-1,1-ジメチル-3-[4-(ソジオオキシスルホニル)ブチル]-2H-ベンゾ[e]インドール-2-イリデン]-1,3,5-ヘプタトリエニル]-1,1-ジメチル-3-(4-スルホナトブチル)-1H-ベンゾ[e]インドール-3-イウム4,5-ベンゾインドトリカルボシアニンオフサグリーンIR-125カルディオ-グリーンフォックスグリーンIR‐125インドシアニングリーン (〜90%)カルディオグリーン
物性
構造計算による物性
- 極性表面積
- 137 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 12
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,520
実験および物理化学的性質
Chemical ClassesDyes -> Carbocyanine Dyes
pHPH (1 IN 200 SOLN) ABOUT 6
LogPLog Kow= -0.29 at pH 7.4
OdorODORLESS OR WITH SLIGHT ODOR
Color/FormDARK GREEN, BLUE-GREEN, OLIVE BROWN, DARK BLUE, OR BLACK POWDER, SOLN ARE DEEP EMERALD-GREEN IN COLOR
Solubility
SOL IN WATER & METHANOL; PRACTICALLY INSOL IN MOST OTHER ORG SOLVENTS
Soluble in water, less soluble in ethanol.
Human Drugs
Breast Feeding; Lactation; Milk, Human; Coloring Agents; Diagnostic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
DecompositionDecomposes gradually above 200 °C.
Physical DescriptionDark green, blue-green, olive brown, dark blue, or black solid; Solutions are deep emerald-green; [HSDB]
Stability/Shelf Life
UNSTABLE IN SOLN.
Solutions are stable only for a few hours and cannot be kept overnight.
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 (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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards Summary
Very low incidence of side effects when injected into the veins and arteries of patients during medical testing; May cause transient elevation in serum unconjugated bilirubin, probably due to competition between dye & bilirubin for biliary excretion. In digital videoangiography performed on 1226 consecutive patients, adverse reactions (i.e. allergic or anaphylactic) were noted in eight patients, only one of which was severe but not fatal; It contains a small amount of sodium iodide and should be used with caution in patients allergic to iodides; [HSDB] An irritant; [MSDSonline]
Special ReportsSchlanz KD et al; Clin Pharmacokinet 21 (5): 344-56 (1991). A review is presented of the mechanism by which calcium antagonists alter the pharmacokinetics of other drugs, including antipyrine and indocyanine green. ...
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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.
化学と産業
薬理情報
ATC Code
V - Various
QV - Various
Metabolism/Metabolites...INDOCYANINE GREEN...APPEARS IN BILE UNCHANGED
FDA Pharmacological Classification
IX6J1063HV
INDOCYANINE GREEN
Established Pharmacologic Class [EPC] - Diagnostic Dye
Mechanisms of Action [MoA] - Dyes
Indocyanine green is a Diagnostic Dye. The mechanism of action of indocyanine green is as a Dye.
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
Absorption, Distribution and Excretion
FOLLOWING IV INJECTION, INDOCYANINE GREEN IS RAPIDLY BOUND TO PLASMA PROTEIN, QUICKLY REMOVED FROM CIRCULATION BY LIVER, & EXCRETED IN BILE IN UNCONJUGATED FORM.
WITH INDOCYANINE GREEN, IT HAS BEEN SHOWN THAT RAT HAS HIGHER MAX BILIARY EXCRETION RATE (0.065 MG/KG/MIN) THAN DOES RABBIT (0.05 MG/KG/MIN) OR DOG (0.027 MG/KG/MIN).
T/2 INCR WITH INCR DOSAGE. ... CONSIDERABLE DIFFERENCE HAS BEEN NOTED BETWEEN NORMAL MONGRELS & PUREBRED BEAGLES IN CLEARANCE TIMES.
APPARENT HEPATIC EXTRACTION OF INDOCYANINE GREEN IN RATS WAS SURPRISINGLY LOW @ DOSES ABOVE 1 MG/KG. CHANGES IN HEPATIC BLOOD FLOW WOULD NOT ALTER CLEARANCE.
For more Absorption, Distribution and Excretion (Complete) data for INDOCYANINE GREEN (10 total), please visit the HSDB record page.
用途と製造
Uses
Tricarbocyanine dye that absorbs infrared radiation; Used for infrared photography, Wratten filter production, and blood volume, cardiac output, and hepatic function diagnostics; [Merck Index]
Photographic Processing [Category: Other]
IN INFRARED PHOTOGRAPHY; IN PREPN OF WRATTEN FILTERS
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