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Substance Name: Indocyanine green [USP:JAN]
RN: 3599-32-4
UNII: IX6J1063HV
InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-M

Note

  • A tricarbocyanine dye that is used diagnostically in liver function tests and to determine blood volume and cardiac output.

Molecular Formulas

  • C43-H47-N2-Na-O6-S2
  • C43-H48-N2-O6-S2.Na

Molecular Weight

  • 774.974
 

Classification Codes

  • Coloring Agents
  • Diagnostic Aid (Cardiac Output Determination)
  • Diagnostic Aid (Hepatic Function Determination)
  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Indocyanine Green
  • Indocyanine green [USP:JAN]

MeSH Heading

  • Indocyanine Green

Synonyms

  • 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
  • 2-(7-(1,1-Dimethyl-3-(4-sulfobutyl)benz(e)indolin-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indolium hydroxide, inner salt, sodium salt
  • 2-(7-(1,3-Dihydro-1,1-dimethyl-3-(4-sulfobutyl)benz(e)indolin-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indoliumhydroxide inner sodium salt
  • Anhydro-3,3,3',3'-tetramethyl-1,1'-bis(4-sulfobutyl)-4,5,4',5'-dibenzoindotricarbocyanine hydroxide inner salt sodium salt
  • Cardio-Green
  • EINECS 222-751-5
  • Fox Green
  • HSDB 3413
  • HWD Indocyanine Green
  • IC-Green
  • ICG
  • Indocyanine Green
  • IR 125
  • Natrium 4-(2-(7-(2,3-Dihydro-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz(e)indol-2-yliden)-1,3,5-heptatrienyl)-1,1-dimethyl-1H-benz(e)indol-3-ol)butan-1-sulfonat
  • NK 1611
  • Ujoviridin
  • UNII-IX6J1063HV
  • Wofaverdin

Systematic Names

  • 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-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
  • 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
  • Sucrose, crude (cane sugar)

Registry Numbers

CAS Registry Number

  • 3599-32-4

FDA UNII

  • IX6J1063HV

Other Registry Number

  • 58984-23-9

System Generated Number

  • 0003599324

Molecular Formulas

Molecular Formulas

  • C43-H47-N2-Na-O6-S2
  • C43-H48-N2-O6-S2.Na

Molecular Formula Fragments

  • C43-H48-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

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

InChIKey

MOFVSTNWEDAEEK-UHFFFAOYSA-M

Smiles

[Na+].CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)\N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c15

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.29 (none)   EXP
Atmospheric OH Rate Constant 3.19E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.