NORBUPRENORPHINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7E53B4O073

Structure
InChI Key YOYLLRBMGQRFTN-IOMBULRVSA-N
Smile CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5
InChI
InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35NO4
Molecular Weight 413.56
AlogP 3.29
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 70.95
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 172315
ChEMBL CHEMBL1743323
EPA CompTox DTXSID60891436
FDA SRS 7E53B4O073
Human Metabolome Database HMDB0060546
PubChem 114976
SureChEMBL SCHEMBL14408877
ZINC ZINC000006031944
CONTENTS