UCSF

ZINC03830394

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 31 No

Popular Name: Cefamandole Cefamandole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 30034-03-8, 34444-01-4 [c , 34444-01-4 , [30034-03-8] , [34444-01-4]

Other Names:

(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid

(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2

(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)meth

(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CPD0-2066; cefamandole

(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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

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

30034-03-8

30034-03-8; Cefamandole sodium salt; Prestwick_23

34444-01-4

34444-01-4; C06879; Cefamandole

34444-01-4; CMD; Cefamandole (USAN/INN); D02344

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, 6R,7R)-

7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid

AC-1294

AC1L9UKI

BPBio1_000808

BRD-K27130738-236-03-4

BSPBio_000734

C06879

cef-

Cefadole

Cefadole;Cefamandole nafate

cefamandol; cefamandole; cefamandolum

Cefamandole (BAN

Cefamandole (USAN/INN)

Cefamandole nafate

cefamandole sodium

cefamandole(1-)

Cefamandole, Antibiotic for Culture Media Use Only

Cefamandolum

CHEBI:3480

CHEMBL1146

CID456255

Compound 83405

CPD0-2066

D02344

DAP000448

DB01326

INN

INN); Cefamandole Sodium (JAN

Mandol

MFCD00056872

MFCD07793339

MolPort-005-933-283

Prestwick0_000747

Prestwick1_000747

Prestwick2_000747

Prestwick3_000747

Sodium cefamandole

SPBio_002673

USAN

USAN); Cefamandole Sodium (JAN

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.47 5.21 -65.01 2 11 -1 153 461.505 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.81e-01 g/l DrugBank-approved
therap antibacterial MicroSource Spectrum
Therapy antimicrobial SMDC MicroSource
PUBCHEM_PATENT_ID EP0001567A1; EP0004925A1; EP0007689A1; EP0010369A1; EP0011173A1; EP0017246A1; EP0025495A1; EP0027258A1; EP0029202A1; EP0030719A1; EP0034347A2; EP0034394A2; EP0043630A2; EP0043713A1; EP0046596A1; EP0048999A1; EP0049118A2; EP0049119A2; EP0050805A1; EP005381 IBM Patent Data

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