UCSF

ZINC01482039

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 21 No

Popular Name: Diphemanil methylsulfate Diphemanil methylsulfate

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CAS Number: 62-97-5

Other Names:

nil

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate; Ban-Guard (Veterinary); C20H24N.CH4O4S; DIPHEMANIL METHYLSULFATE; Demotil; Diathal (Veterinary); Diphemanil; Diphemanil methosulfa

4-(diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate; N,N-dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate; diphemanil methosulfate; diphemanil metilsulfate; p-(alpha-phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate

4-(diphenylmethylidene)-1,1-dimethylpiperidinium methyl sulfate

4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

62-97-5

62-97-5; D06878; Diphemanil methylsulfate; Diphemanil metilsulfate (INN); Prantal (TN)

62-97-5; Diphemanil methylsulfate; Prestwick_522

AC1L1LUO

AC1Q22R8

AR-1H7690

ban-guard

Ban-Guard (Veterinary)

BRD-K93441486-067-03-7

C20H24N.CH4O4S

CHEBI:59782

CHEMBL1200880

CID6126

D06878

DAP001130

DB00729

Demotil

Diphemanil

Diphemanil methosulfate

Diphemanil methyl sulfate

Diphemanil Methylsulfate (FDA

Diphemanil Methylsulfate (USP

Diphemanil methylsulfate [INN:BAN]

diphemanil methylsulfate; diphemanili metilsulfas; metilsulfate de diphemanil; metilsulfato de difemanilo

Diphemanil methylsulphate

Diphemanil Metilsulfate

Diphemanil metilsulfate (INN)

Diphemanili metilsulfas

Diphemanili metilsulfas [INN-Latin]

Diphemanilum

Diphenatil

Diphenmanil methyl sulfate

Diphenmanil methylsulfate

Diphenmethanil

Diphenmethanil methyl sulfate

Diphenmethanil methylsulfate

EINECS 200-552-4

FDA); Diphemanil Metilsulfate (BAN

HMS1568O19

INN)

LS-116553

LS-187686

methyl sulfate

Metilsulfate de diphemanil

Metilsulfate de diphemanil [INN-French]

Metilsulfato de difemanilo

Metilsulfato de difemanilo [INN-Spanish]

MLS002154192

MolPort-003-666-719

N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate

N/A

Nivelon

Nivelona

NSC 41725

NSC41725

p-(.alpha.-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate

p-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate

Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate

Prantal

Prantal (TN)

Prantal methylsulfate

Prantil

Prentol

Prestwick_522

SMR001233482

Talpran

UNII-Q26TX1UD0W

UNII-W2ZG23MGYI

USP); Diphemanil Metilsulfate (BAN

Vagophemanil

Vagophemanil methyl sulfate

Variton

WLN: T6K DYTJ A1 A1 DUYR&R &WSO&O1

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) 0.16 13.94 -33.89 0 1 1 0 278.419 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.04e-04 g/l DrugBank-approved
Target AChR Selleck Chemicals
PUBCHEM_PATENT_ID EP1021204A2; US4824676; US5008111; US5446070; US5656286; US5719197; US6024976; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

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