structure of Indocyanine Green CAS 3599-32-4

Indocyanine Green CAS 3599-32-4

Identification

CAS Number

3599-32-4

Name

Indocyanine Green

Synonyms

1H-benz[e]indolium, 2-[(1E,3E,5E,7E)-7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
1H-benz[e]indolium, 2-[(1E,3E,5E,7Z)-7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1) [ACD/Index Name]
1H-benz[e]indolium, 2-[(1E,3E,5E,7Z)-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, monosodium salt
1H-benz[e]indolium, 2-[(1Z,3Z,5Z,7E)-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, monosodium salt
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)-1H-benz[e]indolium Hydroxide Inner Salt Sodium Salt
4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-Diméthyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrién-1-ylidène}-1,1-diméthyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate de sodium
4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-diméthyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trién-1-ylidène}-1,1-diméthyl-1,2-dihydro-3H-benzo[e]indol-3-yl]butane-1-sulfonate de sodium
Natrium-4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-yliden}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butansulfonat
Natrium-4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-yliden}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]butan-1-sulfonat
Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]butane-1-sulfonate
sodium 4-[(2E)-2-{(2Z,4Z,6Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]butane-1-sulfonate
Sodium 4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate
Sodium 4-[(2Z)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]butane-1-sulfonate
Anhydro-3,3,3′,3′-tetramethyl-1,1′-bis(4-sulfobutyl)-4,5,4′,5′-dibenzoindotricarbocyanine hydroxide inner salt sodium salt
Cardiogreen
Cardio-Green
FOX GREEN
Foxgreen
HWD Indocyanine Green
IC Green
ICG
IC-Green
IC-Green (TN)
Indocyanine green [USAN:JAN] [JAN] [USAN]
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
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
sodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Sodium2-(7-(3,3-dimethyl-1- benz -3,3-dimethyl-1- benz[e]indolinium
Sucrose, crude (cane sugar)
Ujoviridin
Wofaverdin

Molecular Structure

structure of Indocyanine Green CAS 3599-32-4

SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]

StdInChI

InChI=1S/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

StdInChIKey

MOFVSTNWEDAEEK-UHFFFAOYSA-M

Molecular Formula

C43H47N2NaO6S2

Molecular Weight

774.96

EINECS Number

222-751-5

Beilstein Registry Number

4115884

MDL Number

MFCD00013078

Properties

Appearance

Dark green or dark brown powder

Solubility

Slightly soluble in water and methanol, nearly insoluble in acetone

Melting Point

235 ºC

Safety Data

Symbol

exclamation-mark-jpgGHS07

Signal Word

Warning

Hazard Statements

H315-H319-H335

Precautionary Statements

P261-P305 + P351 + P338

Personal Protective Equipment

dust mask type(N95) US, Eye Shields, Gloves

Hazard Codes (Europe)

Xi

Risk Statements (Europe)

36/37/38

Safety Statements (Europe)

26-36

WGK Germany

2

Specifications and Other Information of Our Indocyanine Green CAS 3599-32-4

Standard

USP

Assay

95.0-105.0%(Calculated based on dried basis)

Loss on drying

6.0% max

Arsenic

8ppm max

Heavy Metals

10ppm max

Sodium Iodide

5.0% max(Calculated based on dried basis)

Known Application

It is mainly used for clinical diagnosis of cardiovascular diseases, diagnosing various liver diseases to understand the liver damage and functional reserve.

Productivity

150kg/year

Storage

Room temperature away from light

General View of Documents

Indocyanine Green CAS 3599-32-4 HNMR

Indocyanine Green CAS 3599-32-4 HNMR

Watson-Int Link

http://watson-int.com/Indocyanine-Green_CAS_3599-32-4.html