EcoDrugPlus


Synonyms	29866 LILLY 29866 LILLY-29866 LY-29866 Levopropoxyphene napsilate Levopropoxyphene napsylate Levopropoxyphene napsylate anhydrous Novrad
Status
Molecule Category	Salt-form
UNII	KK9590R73S
EPA CompTox	DTXSID901014588

Synonyms

29866

LILLY 29866

LILLY-29866

LY-29866

Levopropoxyphene napsilate

Levopropoxyphene napsylate

Levopropoxyphene napsylate anhydrous

Novrad

Status

Molecule Category

Salt-form

UNII

KK9590R73S

EPA CompTox

DTXSID901014588


InChI Key	VZPXFHVJUUSVLH-VNJAQMQMSA-N
Smiles	CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1
InChI	InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m0./s1

InChI Key

VZPXFHVJUUSVLH-VNJAQMQMSA-N

Smiles

CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1

InChI

InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m0./s1

Property Name	Value
Molecular Formula	C32H37NO5S
Molecular Weight	547.72
AlogP	4.28
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	29.54
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C32H37NO5S

Molecular Weight

547.72

AlogP

4.28

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

29.54

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	55557-30-7
ChEMBL	CHEMBL1593906
FDA SRS	KK9590R73S
PubChem	16051927
SureChEMBL	SCHEMBL11674106

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

LEVOPROPOXYPHENE NAPSYLATE

Structure

Physicochemical Descriptors

Cross References