2,7-DICARBOXYFLUOREN-9-YLIDENEHYDRAZINOCARBONYLMETHYLTRIMETHYLAMMONIUM CHLORIDE, BIS[3-(DIBUTYLAMINO)PROPYL] ESTER, DIHYDROCHLORIDE, HYDRATED

SpectraBase Compound ID	BkjfLXOOySc
InChI	InChI=1S/C42H65N5O5.2ClH.H2O/c1-8-12-22-45(23-13-9-2)26-16-28-51-41(49)33-18-20-35-36-21-19-34(42(50)52-29-17-27-46(24-14-10-3)25-15-11-4)31-38(36)40(37(35)30-33)44-43-39(48)32-47(5,6)7;;;/h18-21,30-31H,8-17,22-29,32H2,1-7H3;2*1H;1H2
InChIKey	BFLULGPYLBQUON-UHFFFAOYSA-N Google Search
Mol Weight	810.9 g/mol
Molecular Formula	C42H69Cl2N5O6
Exact Mass	809.46249 g/mol

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SpectraBase Spectrum ID	GCiFC9TTgeN
Name	2,7-DICARBOXYFLUOREN-9-YLIDENEHYDRAZINOCARBONYLMETHYLTRIMETHYLAMMONIUM CHLORIDE, BIS[3-(DIBUTYLAMINO)PROPYL] ESTER, DIHYDROCHLORIDE, HYDRATED
Source of Sample	E. R. Andrews, Merrell-National Laboratories, Cincinnati, Ohio
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H69Cl2N5O6
InChI	InChI=1S/C42H65N5O5.2ClH.H2O/c1-8-12-22-45(23-13-9-2)26-16-28-51-41(49)33-18-20-35-36-21-19-34(42(50)52-29-17-27-46(24-14-10-3)25-15-11-4)31-38(36)40(37(35)30-33)44-43-39(48)32-47(5,6)7;;;/h18-21,30-31H,8-17,22-29,32H2,1-7H3;2*1H;1H2
InChIKey	BFLULGPYLBQUON-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 16, 240(1973)
Melting Point	198-199C (dec.)
Synonyms	AMMONIUM CHLORIDE, /CARBOXYMETHYL/- TRIMETHYL-, /2,7-DICARBOXYFLUOREN-9-YL IDENE/HYDRAZIDE, BIS/3-/DIBUTYLAMINO/- PROPYL/ ESTER, DIHYDROCHLORIDE, HYDRATED AMMONIUM CHLORIDE, 2,7-DICARBOXY- FLUOREN-9-YLIDENEHYDRAZINOCARBONYL- METHYLTRIMETHYL-, BIS/3-/DIBUTYLAMINO/ PROPYL/ESTER, DIHYDROCHLORIDE, HYDRATED
Technique	KBr WAFER