EcoDrugPlus


Synonyms	CXA-101 CXA-101 FREE BASE Ceftolozane FR-264205
Status
Molecule Category	Free-form
UNII	37A4IES95Q

Synonyms

CXA-101

CXA-101 FREE BASE

Ceftolozane

FR-264205

Status

Molecule Category

Free-form

UNII

37A4IES95Q


InChI Key	JHFNIHVVXRKLEF-DCZLAGFPSA-N
Smiles	Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1
InChI	InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1

InChI Key

JHFNIHVVXRKLEF-DCZLAGFPSA-N

Smiles

Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1

InChI

InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1

Property Name	Value
Molecular Formula	C23H30N12O8S2
Molecular Weight	666.7
AlogP	-3.9
Hydrogen Bond Acceptor	16.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	12.0
Polar Surface Area	302.21
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	45.0

Property Name

Value

Molecular Formula

C23H30N12O8S2

Molecular Weight

666.7

AlogP

-3.9

Hydrogen Bond Acceptor

16.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

12.0

Polar Surface Area

302.21

Molecular species

ZWITTERION

Aromatic Rings

2.0

Heavy Atoms

45.0

Resources	Reference
ChEBI	134719
ChEMBL	CHEMBL2103872
DrugBank	DB09050
FDA SRS	37A4IES95Q
Guide to Pharmacology	10788
PubChem	53234134
SureChEMBL	SCHEMBL14663407

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

10788

PubChem

53234134

SureChEMBL

SCHEMBL14663407

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...

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

Last update: Monday, 3 November 2025

CEFTOLOZANE

Structure

Physicochemical Descriptors

Cross References