Deptropine citrate
Basic information
- CAS
2169-75-7- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
CHQGYMXXKZPWOI-IIPFOPBBSA-N- Molecular formula
- C29H35NO8
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.23626707
Overview
Deptropine citrate is a citrate salt that is the dihydrogen citrate salt of deptropamine. It has a role as a H1-receptor antagonist, a muscarinic antagonist and a parasympatholytic. It contains a deptropine.
Names & identifiers
- Preferred name
- Deptropine citrate
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Names & synonyms
Deptropine citrateBrontineDIBENZHEPTROPINE CITRATEBrontinaDeptrinDeptropine dihydrogen citrateDTXSID4045557BS 698705LW13XKKRNSC-169431BS-6987NCGC00017039-01
Show more names
CAS-2169-75-7BrontinElarginElargylSU-Brontine3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane citrateBrontin (Porontine)Deptropine citrate CRS
Database identifiers
- CAS
2169-75-7- PubChem CID
- 6604492
- DTXSID
DTXSID4045557- ChEMBL
CHEMBL2107603- ChEBI
CHEBI:50190- UNII
- 05LW13XKKR
- EC Number
- 218-516-1
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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