EcoDrugPlus


Synonyms	HBI-3000 Hbi-3000 Sulcardine sulfate Sulcardine sulfate anhydrous
Status
Molecule Category	Salt-form
UNII	4NDN0NJZ62

Synonyms

HBI-3000

Hbi-3000

Sulcardine sulfate

Sulcardine sulfate anhydrous

Status

Molecule Category

Salt-form

UNII

4NDN0NJZ62


InChI Key	BQCSIJGCWZAHPG-UHFFFAOYSA-N
Smiles	COc1ccc(S(=O)(=O)NCc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1.O=S(=O)(O)O
InChI	InChI=1S/C24H33N3O4S.H2O4S/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27;1-5(2,3)4/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3;(H2,1,2,3,4)

InChI Key

BQCSIJGCWZAHPG-UHFFFAOYSA-N

Smiles

COc1ccc(S(=O)(=O)NCc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1.O=S(=O)(O)O

InChI

InChI=1S/C24H33N3O4S.H2O4S/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27;1-5(2,3)4/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3;(H2,1,2,3,4)

Property Name	Value
Molecular Formula	C24H35N3O8S2
Molecular Weight	557.69
AlogP	3.07
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	82.11
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C24H35N3O8S2

Molecular Weight

557.69

AlogP

3.07

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

82.11

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

32.0

Resources	Reference
ChEMBL	CHEMBL4594410
FDA SRS	4NDN0NJZ62
PubChem	16043221
SureChEMBL	SCHEMBL19134053

Resources

Reference

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

SULCARDINE SULFATE

Structure

Physicochemical Descriptors

Cross References