Basic information
- CAS
68643-23-2- Standard SMILES
CN(C)CCCCSC(=N)N- InChIKey
UFYJLJINUGVUHO-UHFFFAOYSA-N- Molecular formula
- C7H17N3S
- Average molar mass
- 175.3 g/mol
- Monoisotopic mass
- 175.11431873
Overview
RN given refers to parent cpd; structure given in first source; PI: APT (80-92) (not an active MH record; now NM)
Names & identifiers
- Preferred name
- SK&F 91488
- IUPAC
- 4-(dimethylamino)butyl carbamimidothioate
- English name
- SKF 91488 2HCL
- Molecular formula
- C7H17N3S
- Molecular weight
- 175.29
Names & synonyms
HomodimapritSKF-91488SK&F 91488SKF 91488SK&F-91488[4-(carbamimidoylsulfanyl)butyl]dimethylamine1I4LVX494HCarbamimidothioic acid, 4-(dimethylamino)butyl ester(4-(carbamimidoylsulfanyl)butyl)dimethylaminecarbamimidothioic acid 4-(dimethylamino)butyl esterRefChem:8863854-(Dimethylamino)butyl carbamimidothioate
Show more names
SKF 91488 2HCL4-(N,N-Dimethylamino)butylisothiourea4-(N,N-Dimethylamino)butylisothiourea, Carbamimidothioic acid, 4-(dimethylamino)butyl ester
68643-23-24-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATEUNII-1I4LVX494HDTXSID50988329Tocris-0512Lopac-S-145Lopac0_001172CHEMBL1230270
Database identifiers
- CAS
68643-23-2- PubChem CID
- 5227
- DTXSID
DTXSID50988329- ChEMBL
CHEMBL1230270- UNII
- 1I4LVX494H
- Nikkaji
- J23.719A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 1 I4LVX494H · 1I4LVX494H
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to and activate histamine receptors. Although they have been suggested for a variety of clinical applications histamine agonists have so far been more widely used in research than therapeutically.
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
2 records
Compound notes
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