REPROTEROL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03AC15
UNII: 11941YC6RN

Structure
InChI Key WVLAAKXASPCBGT-UHFFFAOYSA-N
Smile Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O
InChI
InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N5O5
Molecular Weight 389.41
AlogP -0.44
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 134.54
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135612
ChEMBL CHEMBL1095607
DrugBank DB12846
DrugCentral 2368
EPA CompTox DTXSID8023553
FDA SRS 11941YC6RN
PubChem 25654
SureChEMBL SCHEMBL83298
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