UCSF

ZINC49938464

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 21 No

Popular Name: Nizatidine Nizatidine

Find On: PubMed — Wikipedia — Google

CAS Number: 76963-41-2

Other Names:

(E)-1-N'-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

(E)-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine

(E)-N-{2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methyl-2-nitroethene-1,1-diamine

tidine

1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazoly)methyl)thio)ethyl)-N'-methyl-2-nitro-

1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazoly)methyl)thio)ethyl)-N'-methyl-2-nitro-; 1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazolyl)methyl)thio)ethyl)-N'-methyl-2-nitro-; AXID; AXID AR; Acinon; Antizid; BRN 4846056; C12

1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazolyl)methyl)thio)ethyl)-N'-methyl-2-nitro-

1,1-ethenediamine, n-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-n'-methyl-2-nitro-

76963-41-2

76963-41-2; Acinon (TN); Axid (TN); D00440; Nizatidine (JP16/USP/INN)

76963-41-2; C07270; Nizatidine

81336-20-1

AC-5272

AC1MHW19

AC1Q1WQW

AC1Q40UA

Acinon

Acinon (TN)

Ambap76963-41-2

Antizid

AR-1B4780

Axid

Axid (TN)

Axid ar

BAN

BIDD:GT0761

BRN 4846056

C07270

C12H21N5O2S2

Calmaxid

CAS-76963-41-2

CHEMBL653

CID3033637

CPD000466384

CPD000466384; NIZATIDINE

CPD000466384; NIZATIDINE; SAM001246752

CPD000466384; SAM001246752; nizatidine

Cronizat

D00440

DAP000339

DB00585

Distaxid

FDA

Galitidin

Gastrax

HMS2051K04

HMS2094A15

HSDB 3574

I14-0503

INN

JAN

KST-1B8734

L000761

LS-67650

LY 139037

LY-139037

LY-139037, Nizatidine

MFCD00865660

MLS000759518

MLS001076680

MolPort-003-849-605

N-(2-(((2-((Dimethylamino)methyl)-4-thiazolyl)methyl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine

N-(4-(6-Methylamino-7-nitro-2-thia-5-aza-6-hepten-1-yl)-2-thiazolylmethyl)-N,N-dimethylamin

Naxidine

NCGC00016934-01

Niatidine

Nizatidina

Nizatidina [Spanish]

Nizatidine (BAN

Nizatidine (FDA

Nizatidine (JAN/USP/INN)

Nizatidine [Usan:Ban:Inn:Jan]

Nizatidinum

Nizatidinum [Latin]

Nizax

Nizaxid

Panaxid

Prestwick2_000921

SAM001246752

SMR000466384

Splendil Er

Tazac

Ulcosol

Ulxid

UNII-P41PML4GHR

USAN

USP)

Zanizal

ZE-101

Zinga

ZL-101

[1-({2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}amino)-2-nitroethenyl](methyl)amine

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) 0.63 3.98 -40.28 2 7 1 88 332.475 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.86e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antiulcer, H2 antagonist SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP05385n NIH Clinical Collection via PubChem
Indications peptic ulcer KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP05385n NIH Clinical Collection via PubChem
Purity USP24 APIChem

Activity (Go SEA)

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

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