Zolamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
553-13-9- Standard SMILES
COc1ccc(CN(CCN(C)C)c2nccs2)cc1- InChIKey
KYBJXENQEZJILU-UHFFFAOYSA-N- Molecular formula
- C15H21N3OS
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.14053348
Overview
Zolamine is a small molecule drug. Zolamine has a monoisotopic molecular weight of 291.14 Da.
Names & identifiers
- Preferred name
- Zolamine
- IUPAC
- N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
- English name
- Zolamine
- Molecular formula
- C15H21N3OS
- Molecular weight
- 291.41
Names & synonyms
ZOLAMINEZolamine [INN]zolamina553-13-9UNII-NXB79TB0N2NXB79TB0N2ZOLAMINE [MI]DTXSID002038172-((2-(DIMETHYLAMINO)ETHYL)-(P-METHOXYBENZYL)AMINO)THIAZOLE1,2-ETHANEDIAMINE, N-((4-METHOXYPHENYL)METHYL)-N',N'-DIMETHYL-N-2-THIAZOLYL-zolaminumRefChem:196208
Show more names
2-dimethylaminoethyl-(4-methoxybenzyl)-thiazol-2-yl-amine2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]thiazole1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-thiazolyl-N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
DTXCID30126308KYBJXENQEZJILU-UHFFFAOYSA-NN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamineSCHEMBL25864CHEMBL127453BDBM50225702NS00123032Q18385617
Database identifiers
- CAS
553-13-9- PubChem CID
- 14387
- DTXSID
DTXSID00203817- ChEMBL
CHEMBL127453- UNII
- NXB79TB0N2
- Nikkaji
- J6.726A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 7 · bp7 217-219°
- FDA UNII
- 79 TB0N2 · NXB79TB0N2
Chemistry & industry
Applications
UsesAntihistaminic,anesthetic (topical).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…