SERDEXMETHYLPHENIDATE

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0H8KZ470DW

Structure
InChI Key UBZPNQRBUOBBLN-PWRODBHTSA-O
Smile COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1
InChI
InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/p+1/t19-,20+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N3O8+
Molecular Weight 500.53
AlogP 1.05
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 146.35
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4301162
FDA SRS 0H8KZ470DW
SureChEMBL SCHEMBL21775916
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