UCSF

ZINC28467879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 36 No

Popular Name: Ceftriaxone Ceftriaxone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104376-79-6 , 104376-79-6, 73384-59-5 [ceftriaxone] , 73384-59-5 , 73384-59-5 [ceftriaxone], , [104376-79-6]

Other Names:

(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), disodium salt, sesquaterhydrate; 2C18H16N8O7

(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

104376-79-6; CTRX; Ceftriaxone sodium (USP); Ceftriaxone sodium hydrate (JP16); D00924; Rocephin (TN)

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, disodium salt, (6R-(6alpha,7beta(Z)))-; Ceftriaxone Sodium [USP]

73384-59-5; C06683; Ceftriaxone

73384-59-5; CTRX; Ceftriaxone (INN); Ceftriaxone (TN); D07659

Biotrakson

cef-

Cefatriaxone

Cefatriaxone;Ceftriaxona [INN-Spanish];Ceftriaxonum [INN-Latin];Ceftriazone

Ceftriaxona [INN-Spanish]

ceftriaxona; ceftriaxone; ceftriaxonum

Ceftriaxone (BAN

Ceftriaxone disodium salt hemi(heptahydrate)

Ceftriaxone Disodium Salt Hemiheptahydrate

Ceftriaxone Sodium

Ceftriaxone sodium hemi(heptahydrate)

CEFTRIAXONE SODIUM TRIHYDRATE

CEFTRIAXONE SODIUM; LIDOCAINE; LS-187897; ROCEPHIN KIT

ceftriaxone(1-)

Ceftriaxonum [INN-Latin]

Ceftriazone

Cephalosporin

CHEBI:446214; CHEBI:3513; CHEBI:23059

CPD-12294; Ceftriaxonum; biotrakson; ceftriaxona; ceftriaxone; ceftriazone; rocephin

DAP001354

INN); Ceftriaxone Sodium (FDA

JAN

Lendacin

Longaceph

MFCD00941454

MFCD09749665

Ro-13-9904

Ro-139904

Rocefalin

Rocefin

Rocephalin

Rocephin

Rocephine

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) -1.22 2.61 -130.09 3 15 -2 221 552.576 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-01 g/l DrugBank-approved
MP 236 TCI
Therapy antibacterial SMDC Pharmakon
Therapy antibiotic SMDC MicroSource
PUBCHEM_PATENT_ID EP0347777A2; EP0347777B1; EP0791596A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50028-1-O Streptococcus Pneumoniae (cluster #1 Of 2), Other Other 5500 0.20 Functional ≤ 10μM
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 290 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 290 0.25 Functional ≤ 10μM
Z50028 Z50028 Streptococcus Pneumoniae 2500 0.22 Functional ≤ 10μM

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

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