Basic information
- CAS
144-45-6- Standard SMILES
NC(N)=NCCN1CCC2(CC1)CC2- InChIKey
MWFKNPHAOISKKI-UHFFFAOYSA-N- Molecular formula
- C10H20N4
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.16879665
Overview
Spirgetine is a small molecule drug. Spirgetine has a monoisotopic molecular weight of 196.17 Da.
Names & identifiers
- Preferred name
- Spirgetine
- IUPAC
- 2-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]guanidine
- English name
- spirgetine
- Molecular formula
- C10H20N4
- Molecular weight
- 196.29
Names & synonyms
Spirgetine144-45-6EspirgetinaSpirgetine [INN:DCF]1-(2-(6-azaspiro[2.5]octan-6-yl)ethyl)guanidine2-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]guanidine8J8O0MK4JGSpirgetinumSpirgetinSpirgetinum [INN-Latin]UNII-8J8O0MK4JGEspirgetina [INN-Spanish]
Show more names
L-3598LD35981-[2-(6-Azaspiro[2.5]oct-6-yl)ethyl]guanidineGuanidine, N-[2-(6-azaspiro[2.5]oct-6-yl)ethyl]-
EINECS 205-629-6LD 3598LD-3598SPIRGETINE [INN]1-(2-(6-Azaspiro(2.5)oct-6-yl)ethyl)guanidinorb1701572CHEMBL2105504SCHEMBL29387726
Database identifiers
- CAS
144-45-6- PubChem CID
- 67348
- DTXSID
DTXSID20162593- ChEMBL
CHEMBL2105504- UNII
- 8J8O0MK4JG
- EC Number
- 205-629-6
- Nikkaji
- J5.829G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 321.5 · 321.5±44.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.70(Predicted)
- FDA UNII
- 8 J8O0MK4JG · 8J8O0MK4JG
Chemistry & industry
Applications
UsesSpirgetine (LD 3598) is a compound with hypotensive activity that can be used to affect arterial pressure by intramuscular injection.
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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