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Substance Name: 3H-Indolium, 2-(3-(3,3-dimethyl-1-(3-sulfopropyl)-1H-indolin-2-ylidene)-1-propenyl)-3,3-dimethyl-1-(3-sulfopropyl)-, hydroxide, inner salt, compd. with pyridine
RN: 40387-89-1
InChIKey: OSRIVWLUMQEVJO-UHFFFAOYSA-N

Molecular Formula

  • C34-H40-N3-O6-S2

Molecular Weight

  • 651.8449
 
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Names and Synonyms

Synonym

  • NK 1639

Systematic Name

  • 3H-Indolium, 2-(3-(3,3-dimethyl-1-(3-sulfopropyl)-1H-indolin-2-ylidene)-1-propenyl)-3,3-dimethyl-1-(3-sulfopropyl)-, hydroxide, inner salt, compd. with pyridine

Registry Numbers

CAS Registry Number

  • 40387-89-1

System Generated Number

  • 0040387891

Structure Descriptors

InChI

1S/C29H36N2O6S2.C5H5N/c1-28(2)22-12-5-7-14-24(22)30(18-10-20-38(32,33)34)26(28)16-9-17-27-29(3,4)23-13-6-8-15-25(23)31(27)19-11-21-39(35,36)37;1-2-4-6-5-3-1/h5-9,12-17H,10-11,18-21H2,1-4H3,(H-,32,33,34,35,36,37);1-5H

InChIKey

OSRIVWLUMQEVJO-UHFFFAOYSA-N

Smiles

CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCS(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C.c1ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 92mg/kg (92mg/kg) BLOOD: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.