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3599-32-4

Basic Information
CAS No.: 3599-32-4
Name: Sodium 2-(7-(3,3-dimethyl-1-(4-sulfonatobutyl)benz(e)indolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolinium
Article Data: 4
Molecular Structure:
Molecular Structure of 3599-32-4 (Sodium 2-(7-(3,3-dimethyl-1-(4-sulfonatobutyl)benz(e)indolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolinium)
Formula: C43H47N2NaO6S2
Molecular Weight: 774.978
Synonyms: 1H-Benz[e]indolium,2-[7-[1,1-dimethyl-3-(4-sulfobutyl)benz[e]indolin-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,hydroxide, inner salt, sodium salt (8CI);1H-Benz[e]indolium,2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,hydroxide, inner salt, sodium salt;1H-Benz[e]indolium,2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,inner salt, sodium salt (9CI);4,5-Benzoindotricarbocyanine;Cardio Green;HWDIndocyanine Green;ICG;IR 125;Indocyanin green;NK 2612;Opthagreen;SO 270;Ujoviridin;Wofaverdin;
EINECS: 222-751-5
Melting Point: 235 °C
Boiling Point: 157oC
Solubility: slightly soluble in water
Appearance: green to brown crystals or crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 137.41000
LogP: 10.55570
Synthetic route
63149-24-6

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

1351043-94-1, 63450-66-8

4-(1,1-dimethyl-2-((1E,3E,5E)-6-(N-phenylacetamido)hexa-1,3,5-trienyl)-1H-benzo[e]indolium-3-yl)butane-1-sulfonate

3599-32-4

indocyanine green

Conditions
ConditionsYield
Stage #1: 4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate; 4-(1,1-dimethyl-2-((1E,3E,5E)-6-(N-phenylacetamido)hexa-1,3,5-trienyl)-1H-benzo[e]indolium-3-yl)butane-1-sulfonate With triethylamine In methanol at 60 - 65℃; for 1.5h;
Stage #2: With sodium iodide In methanol at 10 - 65℃; for 1.5h;
42%
63149-24-6

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

(E)-N-((2E,4E)-5-(phenylamino)penta-2,4-dienylidene)aniline hydrochloride

3599-32-4

indocyanine green

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 1.5 h / 130 - 140 °C
2.1: triethylamine / methanol / 1.5 h / 60 - 65 °C
2.2: 1.5 h / 10 - 65 °C
View Scheme
4185-69-7

1-(2,4-dinitrophenyl)-pyridinium chloride

3599-32-4

indocyanine green

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: methanol / water / 2 h / 25 - 30 °C
2.1: 1.5 h / 130 - 140 °C
3.1: triethylamine / methanol / 1.5 h / 60 - 65 °C
3.2: 1.5 h / 10 - 65 °C
View Scheme
41532-84-7

2,3,3-trimethylbenzo[e]indole

3599-32-4

indocyanine green

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 18 h / 140 - 150 °C
2.1: 1.5 h / 130 - 140 °C
3.1: triethylamine / methanol / 1.5 h / 60 - 65 °C
3.2: 1.5 h / 10 - 65 °C
View Scheme
110-86-1

pyridine

3599-32-4

indocyanine green

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: acetone / 12 - 14 h / 60 - 65 °C
2.1: methanol / water / 2 h / 25 - 30 °C
3.1: 1.5 h / 130 - 140 °C
4.1: triethylamine / methanol / 1.5 h / 60 - 65 °C
4.2: 1.5 h / 10 - 65 °C
View Scheme
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    GMP standard, high purity, competitive price, in stock 1. Quick Response: within 6 hours after receiving your email. 2. Quality Guarantee: All products are strictly tested by our QC, confirmed by QA, and approved by a third-party lab in China, USA,

  •  Xiamen Jenny Chemical Technology Co., Ltd.

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  • Indocyanine green

  • Casno:

    3599-32-4

    Indocyanine green

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Product Name: Indocyanine green Synonyms: UJOVIRIDIN;Foxgreen, IC Green, Indocyanine green;Cardiogreen, Foxgreen, IR-125;1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-d

    SHANGHAI MINSTAR CHEMICAL CO., LTD. is a leading, experienced, professional supplier of API & intermediates, plant extract, food additive, fine chemicals and industry chemicals, et

  •  Shanghai Minstar Chemical Co., Ltd

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    Tel:0086-21-18019205509

    Address:BUILDING 8, NO.1098, CHUANSHA ROAD, SHANGHAI, CHINA

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  • Indocyanine Green CAS NO.: 3599-32-4

  • Casno:

    3599-32-4

    Indocyanine Green CAS NO.: 3599-32-4

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 18.0-20.0

    factory?direct?saleAppearance:White Powder Storage:Store In Dry, Cool And Ventilated Place Package:25kg/drum, also according to the clients requirement Application:It is widely used as a thickener, emulsifier and stabilizer Transportation:By Sea Or B

    Founded in 2008, East Chemsources Limited is a professional manufacturer of supplier in food and beverage, pharmaceuticals, cosmetics and other industries. pharmaceutical field in

  •  EAST CHEMSOURCES LIMITED

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:15053231572

    Address:No.1581-12,Jinshui Road, Licang, Qingdao,China

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Cardio-Green is 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. With the CAS registry number 3599-32-4, it is also named as Indocyanine green. The product's classification codes are Coloring Agents; Diagnostic aid [cardiac output determination]; Diagnostic aid [hepatic function determination]; Drug / Therapeutic Agent, and the other registry number is 58984-23-9. Besides, it is green to brown crystals or crystalline powder, which should be sealed in a dark, dry and ventilated place. In addition, its molecular formula is C43H47N2NaO6S2 and molecular weight is 774.96.

The other characteristics of Cardio-Green can be summarized as: (1)EINECS: 222-751-5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 7; (4)Rotatable Bond Count: 12; (5)Exact Mass: 774.277323; (6)MonoIsotopic Mass: 774.277323; (7)Topological Polar Surface Area: 137; (8)Heavy Atom Count: 54; (9)Complexity: 1520; (10)Melting point: 235 °C.

Preparation and Uses of Cardio-Green: this chemical can be prepared by 1,1,2-Trimethyl-benz[e]indole. Additionally, it can be used for determining cardiac output, hepatic function, and liver blood flow, and for ophthalmic angiography in medical diagnostics.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]S(=O)(=O)CCCC[N+]=3c2ccc1c(cccc1)c2C(C=3C=CC=CC=CC=C6N(c5ccc4ccccc4c5C6(C)C)CCCCS([O-])(=O)=O)(C)C
(2)InChI: InChI=1/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1
(3)InChIKey: MOFVSTNWEDAEEK-REWHXWOFAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.
rat LD50 intravenous 87mg/kg (87mg/kg)   Drugs in Japan Vol. -, Pg. 189, 1995.