DOCUSATE SODIUM

Search structure


Synonyms:	Adekacol ec 8600 Aerosol ot Airrol ct-1 Audinorm Butyl-cerumen Clear ear Colace Comfolax Coprola Correctol stool softener laxative Dialose Dicapryl sodium sulfosuccinate Diethylhexyl sodium sulfosuccinate Di-n-octyl sodium sulfosuccinate Dioctyl Dioctylal Dioctyl disodium sulfosuccinate Dioctyl sodium sulfosuccinate Dioctyl sodium sulphosuccinate Diotilan Disonate Docusate sodium Docusate sodium solution Docusol Docusol 100 Doxinate Doxol D-s-s Dulcivac Dulcoease E 480 E-480 E480 Empimin op70 Eurowet Fletchers' enemette Gemtex pa-70 Ins-480 Ins no.480 Jamylene Klyx Mackanate dos-70 Modane soft Molatoc Molcer Molofac Monawet mo 65-150 Neocol sw 30 Nevax Nikkol otp-75 Nissan rapisol a 30 Norgalax NSC-760404 NSC-7779 Rapisol a 30 Regutol Sanmorin ot 70n Sodium di-n-octyl sulfosuccinate Sodium dioctyl sulfosuccinate Soliwax Texapon dos Triton gr-pg 70 Velmol Waxsol
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	Salt
ATC:	A06AA02
UNII:	F05Q2T2JA0
Parent Compound:	DOCUSATE

Structure


InChI Key	APSBXTVYXVQYAB-UHFFFAOYSA-M
Smile	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H37NaO7S
Molecular Weight	444.57
AlogP	4.15
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	106.97
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	28.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Related Entries

Parent

Cross References

Resources	Reference
ChEBI	4674
ChEMBL	CHEMBL1905872
EPA CompTox	DTXSID8022959
FDA SRS	F05Q2T2JA0
PubChem	23673837
SureChEMBL	SCHEMBL4113

CONTENTS