Orf 17583

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Basic information

CAS: 78441-46-0
Standard SMILES: CNC1=NS(=O)N=C1NCCSCc1ccc(CN(C)C)o1
InChIKey: MLEQRRUOXXDANO-UHFFFAOYSA-N
Molecular formula: C13H21N5O2S2
Average molar mass: 343.5 g/mol
Monoisotopic mass: 343.11366728

Overview

structure given in first source

Names & identifiers

Preferred name: Orf 17583
IUPAC: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
English name: ORF 17583
Molecular weight: 0

Names & synonyms

Orf 1758378441-46-0Orf-17583BL-6217RefChem:928256BL 62171,2,5-Thiadiazole-3,4-diamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-, 1-oxide3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamineorb1740776DTXSID50874495MLEQRRUOXXDANO-UHFFFAOYSA-NN-(4-(Methylamino)-1-oxo-1,2,5-thiadiazol-3-yl)-2-((5-(dimethylaminomethyl)-2-furyl)methylthio)ethylamine

Show more names

N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-1,2,5-thiadiazole-3,4-diamine1-oxide4-[[2-[[[5-[(Dimethylamino)methyl]-2-furyl]methyl]thio]ethyl]amino]-3-(methylamino)-1,2,5-thiadiazole 1-oxide3-[[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-4-(methylamino)-1,2,5-thiadiazole 1-oxide

T687043-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-4-(methylamino)-1H-1lambda~4~,2,5-thiadiazol-1-one3-{2-[(5-Dimethylaminomethyl-2-furyl)methylthio]ethylamino}-4-methylamino-1,2,5 -thiadiazole 1-oxide3-{2-[(5-Dimethylaminomethyl-2-furyl)methylthio]ethylamino}-4-methylamino-1,2,5-thiadiazole 1-oxide

Database identifiers

CAS: 78441-46-0
PubChem CID: 5486884
DTXSID: DTXSID50874495

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 22
Formal charge: 0
Complexity: 456

Chemistry & industry

Applications

DescriptionOrf 17583 is a histamine H2-receptor antagonist.

Related reactions

18 records

New reaction record

HRID 185820As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 829915As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 955136As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1075043As productuspto-grants-1983_07

HRID 1075046As productuspto-grants-1983_07

HRID 1702250As productuspto-grants-1983_04

HRID 1702253As productuspto-grants-1983_04

HRID 1702346As productuspto-grants-1983_04

Compound notes

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