UCSF

ZINC00057512

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

CAS Numbers: 1156-19-0 , [1156-19-0]

Other Names:

1-(((((4-Methylphenyl)sulfonyl)amino)carbonyl)amino)azepane

1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea

1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea

1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea; 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea; 4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide; AI3-50826; BRN 1323565; Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-

1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea; 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea; 4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide; BRN 1323565; CCRIS 591; EINECS 214-588-3; N-(p-toluenesulfonyl)-N'-hexamethyleniminourea; N-{[(hexahy

1-(Hexahydro-1H-azepin-1-yl)-3-(p-toluenesulfonyl)urea

1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea

1-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]azepane

1156-19-0

1156-19-0; CPD000058290; SAM002564236; TOLAZAMIDE

1156-19-0; D00379; Tolazamide (JP16/USP/INN); Tolinase (TN)

1156-19-0; Prestwick_865; Tolazamide

3-azepan-1-yl-1-(4-methylphenyl)sulfonyl-urea

4-(p-Tolylsulfonyl)-1,1-hexamethylene

4-(p-Tolylsulfonyl)-1,1-hexamethylenesemicarbazide

5-20-04-00062 (Beilstein Handbook Reference)

59866P

AB00052247

AC1L1KHJ

AI3-50826

BCBcMAP01_000061

Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-

Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-methyl-

Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-

Benzenesulfonamide, {N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-}

Bio1_000204

Bio1_000693

Bio1_001182

Bio2_000225

Bio2_000705

BPBio1_000691

BRD-K32164935-001-06-8

BRN 1323565

BSPBio_000627

BSPBio_001505

BSPBio_003025

C14H21N3O3S

CAS-1156-19-0

CBiol_001918

CCRIS 591

CHEMBL817

CID5503

CPD000058290

CPD000058290; SAM002564236; Tolazamide

D00379

D014042

DAP000919

DB00839

Diabewas

Diabewas; Norglycin; Tolinase

DivK1c_000212

EINECS 214-588-3

EU-0101195

FDA

HMS1361L07

HMS1569P09

HMS1791L07

HMS1921P19

HMS1989L07

HMS2089L10

HMS2092L09

HMS500K14

HSDB 3192

IDI1_000212

IDI1_033975

INN

JAN

KBio1_000212

KBio2_000225

KBio2_001749

KBio2_002793

KBio2_004317

KBio2_005361

KBio2_006885

KBio3_000449

KBio3_000450

KBio3_002525

KBioGR_000225

KBioGR_000939

KBioSS_000225

KBioSS_001749

LS-578

MFCD00083504

MLS000028534

MLS001076161

MolPort-001-826-273

N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide

N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-methylbenzenesulfonamide

N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea

N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide

N/A

NCGC00016009-01

NCGC00016009-02

NCGC00016009-03

NCGC00016009-06

NCGC00016009-14

NCGC00023701-03

NCGC00023701-04

NCGC00023701-05

NCGC00023701-06

NCGC00023701-07

NCGC00023701-08

NCGC00023701-09

NCGC00023701-10

nchembio.79-comp25

NCI-C03327

NCIOpen2_008361

NINDS_000212

Norglycin

NSC 70762

NSC-70762

NSC70762

Oprea1_061180

Pharmacia Brand of Tolazamide

Prestwick0_000554

Prestwick1_000554

Prestwick2_000554

Prestwick3_000554

Prestwick_865

rea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl-

SAM002564236

semicarbazide

SMR000058290

SPBio_001317

SPBio_002548

SPECTRUM1501201

Spectrum2_001449

Spectrum3_001473

Spectrum4_000240

Spectrum5_001204

Spectrum_001269

SR-01000003105-4

T 2408

T2408_SIGMA

Tolamide

Tolanase

Tolazamida

Tolazamida [INN-Spanish]

tolazamida; tolazamide; tolazamidum

Tolazamide (BAN

Tolazamide (JP15/USP/INN)

Tolazamide [USAN:INN:BAN:JAN]

Tolazamidum

Tolazamidum [INN-Latin]

Tolazolamide

Tolinase

Tolinase (TN)

U 17835

U-17835

UNII-9LT1BRO48Q

Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-

Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl-

USAN

USP)

WLN: T7NTJ AMVMSWR D1

ZINC00057512

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) 2.15 2.32 -55.88 1 6 -1 85 310.399 4
Lo Low (pH 4.5-6) 1.35 4.6 -10.54 2 6 0 79 311.407 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.08e-01 g/l DrugBank-approved
therap antidiabetic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0007911A1; EP0028923A1; EP0037672A2; EP0040899A2; EP0052917A2; EP0083032A2; EP0097453A2; EP0104078A2; EP0126684A2; EP0126684B1; EP0145895A1; EP0169105A2; EP0169105B1; EP0182499A1; EP0190969A2; EP0190969B1; EP0206546A2; EP0207605A1; EP0208617A1; EP023300 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-1375; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Therapy Oral hypoglycemic agent; stimulates pancreatic islet cells to secrete insulin SMDC Iconix
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-1375; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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