BUTYLSCOPOLAMINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03BB01
UNII: 2Z3E1OF81V

Structure
InChI Key YBCNXCRZPWQOBR-WVHCHWADSA-N
Smile CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
InChI
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30NO4+
Molecular Weight 360.47
AlogP 2.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Abdominal Pain 3 D015746 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 145701
ChEMBL CHEMBL1618102
DrugBank DB09300
DrugCentral 458
EPA CompTox DTXSID4048145
FDA SRS 2Z3E1OF81V
ZINC ZINC000100047075
CONTENTS