Cimadronate

Substructure search Find similar structures

Basic information

CAS: 32545-64-5
Standard SMILES: O=P(O)(O)C(NC1CCCCC1)P(=O)(O)O
InChIKey: GBBBPWVJGMFZGX-UHFFFAOYSA-N
Molecular formula: C7H17NO6P2
Average molar mass: 273.16 g/mol
Monoisotopic mass: 273.05311126

Overview

increases serum 1,25-dihydroxyvitamin D in rats via stimulating renal 1-hydroxylase activity; structure given in first source

Names & identifiers

Preferred name: Cimadronate
IUPAC: [(cyclohexylamino)-phosphonomethyl]phosphonic acid

Names & synonyms

Cimadronate[(cyclohexylamino)(phosphono)methyl]phosphonic acid((cyclohexylamino)(phosphono)methyl)phosphonic acidRefChem:126148cycloheptylaminomethylene-1,1-bisphosphonate138330-18-47L16W0096APhosphonic acid, ((cycloheptylamino)methylene)bis-, disodium saltYM-17532545-64-5NSC-72261566ATW42T2C

Show more names

UNII-66ATW42T2C((Cyclohexylamino)-phosphonomethyl)phosphonic acid[(cyclohexylamino)-phosphonomethyl]phosphonic acidp,p'-((Cyclohexylamino)methylene)bis(phosphonic acid)Phosphonic acid, P,p'-((cyclohexylamino)methylene)bis-P,P'-[(Cyclohexylamino)methylene]bis[phosphonic acid]Phosphonic acid, P,P'-[(cyclohexylamino)methylene]bis-icandronate

Database identifiers

CAS: 32545-64-5
PubChem CID: 405386
DTXSID: DTXSID90954285
ChEMBL: CHEMBL56253
UNII: 66ATW42T2C
Nikkaji: J2.051.108G

Properties

Computed structural properties

XLogP: -4.1
Topological polar surface area: 127 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 295

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationAgents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

Related reactions

1 records

New reaction record

HRID 1576058As productuspto-grants-1976_09

Compound notes

Loading…