Citramin
Basic information
- CAS
6190-43-8- Standard SMILES
C1N2CN3CN1CN(C2)C3.O=C(O)CC1(CC(=O)O)OCOC1=O- InChIKey
VFYFMNCKPJDAPV-UHFFFAOYSA-N- Molecular formula
- C13H20N4O7
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.13319899
Names & identifiers
- Preferred name
- Citramin
- IUPAC
- 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Names & synonyms
CitraminCitrohexalDiurosanFormanolMethenamine anhydromethylenecitrate0X9NNX51Q96190-43-8RefChem:1081996228-236-15-Oxo-1,3-dioxolane-4,4-diacetic acid, compound with 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane (1:1)EsacitrinaFromanol
Show more names
HelmitolHexacitUropurgolUrotropin NewHexalen [Antibacterial]UNII-0X9NNX51Q9SCHEMBL674321DTXSID90977454
Database identifiers
- CAS
6190-43-8- PubChem CID
- 80325
- DTXSID
DTXSID90977454- UNII
- 0X9NNX51Q9
- EC Number
- 228-236-1
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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