PIPOTIAZINE PALMITATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4Q3H01QRMI

Structure
InChI Key KTOYYUONFQWSMW-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
InChI
InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H63N3O4S2
Molecular Weight 714.09
AlogP 10.06
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 23.0
Polar Surface Area 70.16
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 49.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135769
ChEMBL CHEMBL2106439
DrugCentral 2193
EPA CompTox DTXSID5048970
FDA SRS 4Q3H01QRMI
PubChem 37767
SureChEMBL SCHEMBL636669
ZINC ZINC000008214658
CONTENTS