CELGOSIVIR HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: 70U2NQU0FP
Parent Compound: CELGOSIVIR

Structure
InChI Key KXNZMBFOWDNCRU-QVMZSJACSA-N
Smile CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O.Cl
InChI
InChI=1S/C12H21NO5.ClH/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16;/h7-8,10-12,14,16-17H,2-6H2,1H3;1H/t7-,8-,10+,11+,12+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22ClNO5
Molecular Weight 295.76
AlogP -1.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 90.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2105801
EPA CompTox DTXSID50161574
FDA SRS 70U2NQU0FP
PubChem 3033824
SureChEMBL SCHEMBL4329778
CONTENTS