UCSF

ZINC04097301

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 28 Yes

Popular Name: Docusate sodium Docusate sodium

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CAS Numbers: 10041-19-7 , 577-11-7 , 7491-09-0 , [30673-56-4] , [577-11-7]

Other Names:

"Dioctyl sulfosuccinate sodium salt, 94%"

1,4-Bis(2-ethylhexyl) 2-sulphosuccinate; 1,4-Bis(2-ethylhexyl) sulfosuccinate; Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester; Dioctyl sulfosuccinic acid; Docusate; Docusate hydrogen; EINECS 233-124-0; LS-186430; Spolion 8

1,4-Bis(2-ethylhexyl) sodium sulfosuccinate; 1,4-Bis(2-ethylhexyl)sulfobutanedioate, sodium salt; 2-Ethylhexyl sulfosuccinate sodium; AI3-00239; Adekacol EC 8600; Aerosol A 501; Aerosol AOT; Aerosol GPG; Aerosol OT; Aerosol OT 70PG; Aerosol OT 75; Aerosol

1,4-Bis(2-ethylhexyl) sulfosuccinate; 10041-19-7; C07874; Docusate hydrogen

1,4-Bis(2-ethylhexyl) sulfosuccinate; Butanedionic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester; Colace; Dioctyl sulfosuccinate; Docusate; Docusate hydrogen; bmse000720

1-(2-Methylphenyl)-Ethanone;1-(2-Methylphenyl)ethanone;1-(2-Tolyl)ethanone;1-(Methylphenyl)-Ethanone;1-(Methylphenyl)ethan-1-one;2'-Methyl-Acetophenone;2'-Methylacetophenone;2'-Methylacetylphenone;2-Acetyltoluene;Acetophenone, 2'-methyl- (8CI);Ethanone, 1

2-Methylacetophenone

577-11-7; Colace (TN); D00305; Dioctyl sodium sulfosuccinate (JAN); Docusate sodium (USP); Sodium dioctyl sulfosuccinate (INN)

7491-09-0; D03886; Docusate potassium (USP); Rectalad enema (TN)

Ammonium 1,4-bis(2-ethylhexyl) sulphonatosuccinate

Anthraquinone, 1,8-dihydroxy-, mixed with bis(2-ethylhexyl) 2-sulfosuccinate sodium salt; Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt, mixt. with 1,8-dihydroxy-9,10-anthracenedione; DSS-danthron; Jamylene; LS-45789; Solven

Bis(2-ethylhexyl) Sulfosuccinate Sodium Salt

Bis(2-ethylhexyl) sulphosuccinatesodium salt

Dioctyl Disodium Sulfosuccinate (JAN); Docusate Sodium (BAN

Dioctyl sodium sulfosuccinate

Dioctyl sulfosuccinate, sodium salt, 96%

Docusate (Sodium)

Docusate Potassium (USAN

INN

LS-194223

MFCD00012455

RECTILAD

Sodium di(2-ethylhexyl) sulfosuccinate

USAN

USP)

USP); Dioctyl Disodium Sulfosuccinate (JAN); Docusate Sodium (BAN

USP); Docusate Potassium (USAN

USP); Sodium Dioctyl Sulfosuccinate (INN); Docusate Calcium (USAN

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 10.7 -46.85 0 7 -1 110 421.576 18 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 153 - 157 Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H318: Causes serious eye damage Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R38: Irritating to skin. Acros Organics
R phrase R38: Irritating to skin.; R41: Risk of serious damage to eyes. Acros Organics
Therapy stool softener SMDC Pharmakon
Hazard XI: Irritant Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )