AG00I74W

3599-32-4 | 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, sodiumsalt

AG00I74W

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CAS Number	3599-32-4
Catalog Number	AG00I74W(AGN-PC-0RBHUC)
Chemical Name	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, sodiumsalt
EC Number	222-751-5
IUPAC Name	sodium;4-[(2E)-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
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
InChI Key	MOFVSTNWEDAEEK-UHFFFAOYSA-M
MDL Number	MFCD00013078
Molecular Formula	C43H47N2NaO6S2
Molecular Weight	774.9629
SMILES	O=S(CCCC[N+]1=C(/C=C/C=C/C=C/C=C2N(CCCCS(=O)([O-])=O)C3=C(C4=CC=CC=C4C=C3)C/2(C)C)C(C)(C)C5=C1C=CC6=CC=CC=C56)([O-])=O.[Na+]
Synonyms	Cardio Green, Cardio-Green, Cardiogreen, Green, Indocyanine, Indocyanine Green, Ujoveridin, Vofaverdin, Vophaverdin, Wofaverdin, indocyanine green, Wofaverdin, 3599-32-4, Fox Green, Cardiogreen, Cardio-Green, Foxgreen, Ujoviridin, IC Green, IR 125, IC-Green, ICG, HWD Indocyanine Green, HSDB 3413, EINECS 222-751-5, Cardio Green, MFCD00013078, NK 1611, Indocyanin Green, Sucrose, crude (cane sugar), C43H47N2O6S2.Na, 4,5-Benzoindotricarbocyanine, Opthagreen, IndocyanineGreen, Indocyanine green [USAN:JAN], utane-1-sulfonate, 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, 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, AK116044, Anhydro-3,3,3',3'-tetramethyl-1,1'-bis(4-sulfobutyl)-4,5,4',5'-dibenzoindotricarbocyanine hydroxide inner salt sodium salt, 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, Cardiogreen, for microscopy, Cardiogreen, polymethine dye, Indocyanine Green (~90%), Indocyanine green(Cardiogreen), SCHEMBL16027582, MOFVSTNWEDAEEK-UHFFFAOYSA-M, 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, HY-D0711, 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, GT1409, SO 270, AKOS015896404, AKOS016010308, CS-3173, DB09374, NK 2611, NK 2612, RL03361, AS-11023, LS-33467, SC-09892, I0535, ST24047406, A823083, I06-1999, Indocyanine green, United States Pharmacopeia (USP) Reference Standard, 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)-1H-benz[e]indolium Inner Salt Sodium Salt, sodium 4-(2-((1E,3E,5E,7E)-7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)b, sodium 4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-2-benzo[e]indol-3-iumyl]hepta-2,4,6-trienylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-butanesulfonate, sodium 4-[(2E)-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-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate, Ujoveridin, Vofaverdin, Vophaverdin, Green, Indocyanine, UNII-IX6J1063HV, C43H47N2NaO6S2, Indocyanine green [USP:JAN], C43H48N2O6S2.Na, C43-H48-N2-O6-S2.Na, CID11967809, D007208, Indocyanine Green, dye content 90% - 100MG 100mg, 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, Sodium2-(7-(3,3-dimethyl-1- benz -3,3-dimethyl-1- benz[e]indolinium, 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-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, 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,

Complexity	1520
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Exact Mass	774.277g/mol
Formal Charge	0
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	774.967g/mol
Monoisotopic Mass	774.277g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number