| SpectraBase Spectrum ID |
B2yPrbwpynA |
| Name |
Trihexyl clodronate - monosodium salt |
| Alternate Name(s) |
sodium hexyl[bis(hexyloxy)phosphoryl](dichloro)methylphosphonate |
| 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 |
| Wiley ID |
1401613 |
