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Trihexyl clodronate - monosodium salt

View entire compound with spectra: 3 MS (GC)

Trihexyl clodronate - monosodium salt
SpectraBase Compound ID L8ZI66JXQ5B
InChI InChI=1S/C19H40Cl2O6P2.Na/c1-4-7-10-13-16-25-28(22,23)19(20,21)29(24,26-17-14-11-8-5-2)27-18-15-12-9-6-3;/h4-18H2,1-3H3,(H,22,23);/q;+1/p-1
InChIKey ZOTXIFSCYKRVQP-UHFFFAOYSA-M
Mol Weight 519.4 g/mol
Molecular Formula C19H39Cl2NaO6P2
Exact Mass 518.149663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2yPrbwpynA
Name Trihexyl clodronate - monosodium salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H39Cl2NaO6P2
InChI InChI=1S/C19H40Cl2O6P2.Na/c1-4-7-10-13-16-25-28(22,23)19(20,21)29(24,26-17-14-11-8-5-2)27-18-15-12-9-6-3;/h4-18H2,1-3H3,(H,22,23);/q;+1/p-1
InChIKey ZOTXIFSCYKRVQP-UHFFFAOYSA-M
Molecular Weight 519.358 g/mol
SMILES [Na+].C(Cl)(Cl)(P(OCCCCCC)(OCCCCCC)=O)P(OCCCCCC)([O-])=O
SPLASH splash10-0006-9010000000-ca6e6f70ed1495d157a5
Source of Spectrum SB-49-41-0
Synonyms sodium hexyl[bis(hexyloxy)phosphoryl](dichloro)methylphosphonate
Wiley ID 1401613