EcoDrugPlus


Synonyms	BRL-3475 Carbenicillin phenyl sodium Carfecillin sodium Uticillin
Status
Molecule Category	Salt-form
UNII	18N5JP36GY
EPA CompTox	DTXSID40176036

Synonyms

BRL-3475

Carbenicillin phenyl sodium

Carfecillin sodium

Uticillin

Status

Molecule Category

Salt-form

UNII

18N5JP36GY

EPA CompTox

DTXSID40176036


InChI Key	JXSBZDNBNJTHBJ-JPZUGYNPSA-M
Smiles	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
InChI	InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1

InChI Key

JXSBZDNBNJTHBJ-JPZUGYNPSA-M

Smiles

CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]

InChI

InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1

Property Name	Value
Molecular Formula	C23H21N2NaO6S
Molecular Weight	476.49
AlogP	2.01
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	113.01
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C23H21N2NaO6S

Molecular Weight

476.49

AlogP

2.01

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

113.01

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

32.0

Resources	Reference
ChEBI	34612
ChEMBL	CHEMBL2105996
FDA SRS	18N5JP36GY
KEGG	C13976
PubChem	23674995
SureChEMBL	SCHEMBL192220

Resources

Reference

ChEBI

ChEMBL

FDA SRS

KEGG

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

CARBENICILLIN PHENYL SODIUM

Structure

Physicochemical Descriptors

Cross References