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Indocyanine green

CAS Registry Number®

3599-32-4

CAS Name

Indocyanine green

Molecular Formula

C43H48N2O6S2.Na

Cite this Page

Indocyanine green.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3599-32-4 (retrieved 2024-12-27) (CAS RN: 3599-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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);

InChIKey

InChIKey=AANGVCDSLQANGQ-UHFFFAOYSA-N

SMILES

CC1(C)C2=C([N+](CCCCS(=O)(=O)[O-])=C1C=CC=CC=CC=C3N(CCCCS(=O)(=O)O)C4=C(C3(C)C)C=5C(C=C4)=CC=CC5)C=CC=6C2=CC=CC6.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])CCCC[N+]=1C=2C=CC=3C=CC=CC3C2C(C1C=CC=CC=CC=C4N(C=5C=CC=6C=CC=CC6C5C4(C)C)CCCCS(=O)(=O)O)(C)C

Other Names for this Substance

  • 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-[1,1-dimethyl-3-(4-sulfobutyl)benz[e]indolin-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt
  • 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
  • ICG

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Deleted or Replaced CAS Registry Numbers

58984-23-9, 1814902-08-3

CAS INSIGHTSTM
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