UCSF

ZINC03830276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 42 No

Popular Name: Benzonatate Benzonatate

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CAS Number: 104-31-4

Other Names:

104-31-4

104-31-4; Benzonatate (USP/INN); D00242; Tessalon perles (TN)

2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate

2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate; 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate; 3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate; 4-(b

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate; BENZONATATE; Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester; Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester; Benzoi

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate

3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate

3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate

4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester

AB00513795

AC1L1PCL

AC1Q68HL

AR-1H9260

BAN

Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester

Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester

Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester (9CI)

Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester

Benzonatate (BAN

Benzonatate (FDA

Benzonatate (USP/INN)

Benzonatate [USAN:INN:BAN]

benzonatate; benzonatato; benzonatatum

Benzonatato

Benzonatato [INN-Spanish]

Benzonatato [INN-Spanish];Benzonatatum [INN-Latin];Benzononatine

Benzonatatum

Benzonatatum [INN-Latin]

Benzononantin

Benzononatine

BPBio1_000049

BSPBio_000043

C30H53NO11

CAS-104-31-4

CHEBI:3032

CID7699

D00242

DAP000514

DB00868

EINECS 203-194-7

Exangit

FDA

HMS1568C05

INN

INN)

KM65

LS-36322

MLS002154171

MolPort-005-941-702

NCGC00016362-01

NCGC00016362-02

nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate

p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester

p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester [German]

p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester

Polyethyleneglycol-p-n-butylaminobenzoate methyl ester

Prestwick0_000012

Prestwick1_000012

Prestwick2_000012

Prestwick3_000012

SMR001233469

SPBio_001964

Tesalon

Tessalin

Tessalon

Tessalon Perles

Tessalon perles (TN)

Tessalon-Ciba

UNII-5P4DHS6ENR

USP

USP)

Ventussin

Ventussin-Loz

Download: MOL2 SDF SMILES Flexibase

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) 1.57 9.04 -20.46 1 12 0 121 603.75 33 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.59e-03 g/l DrugBank-approved
therap antitussive MicroSource Spectrum

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.