Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 36718856JR
Parent Compound: SARECYCLINE

Structure

InChI Key APPRLAGZQKOUFL-FIPJBXKNSA-N
Smiles CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl
InChI
InChI=1S/C24H29N3O8.ClH/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33;/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33);1H/t11-,13-,18-,24-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30ClN3O8
Molecular Weight 523.97
AlogP 0.11
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 173.86
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEMBL CHEMBL2364633
FDA SRS 36718856JR
SureChEMBL SCHEMBL22205222