EcoDrugPlus


Synonyms	Acolbifene hcl Acolbifene hydrochloride SCH-57068 HYDROCHLORIDE SCH57068 HCL SCH57068.HCL
Status
Molecule Category	Salt-form
UNII	KXC7811DBY

Synonyms

Acolbifene hcl

Acolbifene hydrochloride

SCH-57068 HYDROCHLORIDE

SCH57068 HCL

SCH57068.HCL

Status

Molecule Category

Salt-form

UNII

KXC7811DBY


InChI Key	BYQDPIXWTVEVEA-JMAPEOGHSA-N
Smiles	CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.Cl
InChI	InChI=1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1

InChI Key

BYQDPIXWTVEVEA-JMAPEOGHSA-N

Smiles

CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.Cl

InChI

InChI=1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1

Property Name	Value
Molecular Formula	C29H32ClNO4
Molecular Weight	494.03
AlogP	6.03
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	62.16
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C29H32ClNO4

Molecular Weight

494.03

AlogP

6.03

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

62.16

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

34.0

Resources	Reference
ChEMBL	CHEMBL2105965
FDA SRS	KXC7811DBY
PubChem	155436
SureChEMBL	SCHEMBL9979094

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

ACOLBIFENE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References