EcoDrugPlus


Synonyms	Fv-100 Valnivudine hydrochloride
Status
Molecule Category	Salt-form
UNII	L4N5F436FO
EPA CompTox	DTXSID40241910

Synonyms

Fv-100

Valnivudine hydrochloride

Status

Molecule Category

Salt-form

UNII

L4N5F436FO

EPA CompTox

DTXSID40241910


InChI Key	CAHTYTZOAVUCIU-ZMQZINMSSA-N
Smiles	CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1.Cl
InChI	InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1

InChI Key

CAHTYTZOAVUCIU-ZMQZINMSSA-N

Smiles

CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1.Cl

InChI

InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1

Property Name	Value
Molecular Formula	C27H36ClN3O6
Molecular Weight	534.05
AlogP	3.56
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	129.81
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C27H36ClN3O6

Molecular Weight

534.05

AlogP

3.56

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

129.81

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

36.0

Resources	Reference
ChEMBL	CHEMBL4297380
FDA SRS	L4N5F436FO
PubChem	71587897

Resources

Reference

ChEMBL

CHEMBL4297380

FDA SRS

L4N5F436FO

PubChem

71587897

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

VALNIVUDINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References