UCSF

ZINC03830434

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 35 No

Popular Name: Ceforanide Ceforanide

Find On: PubMed — Wikipedia — Google

CAS Number: 60925-61-3

Other Names:

(6R,7R)-7-(2-(alpha-Amino-o-tolyl)acetamido)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

(6R,7R)-7-(2-(alpha-Amino-o-tolyl)acetamido)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R-trans)-7-(((2-(aminomethyl)phenyl)acetyl)amino)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio

(6R,7R)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]thio}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[O-(aminomethyl)phenylacetamido]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-3-ce

(6R-trans)-7-(((2-(Aminomethyl)phenyl)acetyl)amino)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-(aminomethyl)phenyl)acetyl)amino)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

60925-61-3

60925-61-3; C06884; Ceforanide

60925-61-3; Ceforanide (USP/INN); D00259; Precef (TN)

7-(o-(Aminomethyl)phenylacetamido)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid

7-[O-(aminomethyl)phenylacetamido]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-3-cephem-4-carboxylic acid

7beta-[2-(aminomethyl)phenyl]acetamido-3-{[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl-3,4-didehydrocepham-4-carboxylic acid

AB00513845

AC1L2A0U

AC1Q6LON

BAN

bl s786

BL-S 786

BL-S786

BPBio1_000638

BRD-K37848908-001-03-1

BSPBio_000580

C06884

C20H21N7O6S2

cef-

Ceforanide (BAN

Ceforanide (FDA

Ceforanide (USP/INN)

Ceforanide [USAN:INN:BAN]

ceforanide; ceforanido; ceforanidum

Ceforanido

Ceforanido [INN-Spanish]

Ceforanido [INN-Spanish];Ceforanidum [INN-Latin]

Ceforanidum

Ceforanidum [INN-Latin]

CHEBI:3495

CHEMBL1201046

CID43507

D00259

DAP001175

DB00923

FDA

HMS1569M22

INN

LS-176135

Precef

Precef (TN)

Prestwick0_000470

Prestwick1_000470

Prestwick2_000470

Prestwick3_000470

Radacef

SPBio_002519

UNII-8M1YF8951V

USAN

USAN)

USP

USP)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.10 -5.09 -124.88 4 13 -1 200 518.557 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.97e-01 g/l DrugBank-approved
Therapy antibacterial SMDC Pharmakon
PUBCHEM_PATENT_ID EP0009609A2; EP0087676A1; EP0106369A2; EP0150984A2; EP0150984B1; EP0154444A1; EP0162747A1; EP0162764A1; EP0174342A1; EP0201221A1; EP0206947A2; EP0206947B1; EP0214898A2; EP0214898B1; EP0215697A2; EP0215697B1; EP0220939A1; EP0222664A2; EP0327766A2; EP032776 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.