CARPHENAZINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CLY16Y8Z7E

Structure
InChI Key XZSMZRXAEFNJCU-UHFFFAOYSA-N
Smile CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
InChI
InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31N3O2S
Molecular Weight 425.6
AlogP 3.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 47.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 51235
ChEMBL CHEMBL1201328
DrugBank DB01038
DrugCentral 516
EPA CompTox DTXSID8022745
FDA SRS CLY16Y8Z7E
Guide to Pharmacology 7140
PharmGKB PA164750571
SureChEMBL SCHEMBL120591
ZINC ZINC000022446644
CONTENTS