UCSF

ZINC03830515

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 24 No

Popular Name: Cephradine Cephradine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38821-53-3 , 38821-53-3 [anhydrous], 58456-86-3 [dihydrate], 31828-50-9 [non-stoichiometric hydrate] , 38821-53-3, 58456-86-3 [d

Other Names:

(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyl

(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-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-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3-methyl-8-oxo-, (6R-(6-

(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 38821-53-3; Anspor; CPD0-2068; Eskacef; Sefril; cephradine

(6R-(6alpha,7))-((Amino-1,4-cyclohexadien-1-ylacetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

38821-53-3

38821-53-3; Anspor (TN); CED; Cefradine (JAN/INN); Cephradine (USP); D00264; Velosef (TN)

38821-53-3; C06897; Cefradine; Cephradine

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3-methyl-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))-

58456-86-3 (dihydrate)

7-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-caboxylic acid

7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid

7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid

AC-1409

AC1L1Z38

AC1Q6LOA

Anspor

Anspor (TN)

BRN 6075388

C06897

C8395_SIGMA

Cefradin

Cefradina

Cefradina [INN-Spanish]

cefradina; cefradine; cefradinum

Cefradine

Cefradine (BAN

Cefradine (JAN/INN)

Cefradinum

Cefradinum [INN-Latin]

Cephradin

Cephradine (anhydrous)

Cephradine (FDA

Cephradine (USP)

CEPHRADINE SODIUM

Cephradine [USAN:BAN]

CHEBI:3547

CHEMBL1604

CID38103

CPD0-2068

D00264

DAP000454

DB01333

DivK1c_000739

Ecosporina

EINECS 254-137-8

Eskacef

HMS502E21

HSDB 3216

IDI1_000739

INN

JAN)

JAN); Cephradine (FDA

KBio1_000739

LS-149955

MFCD00865048

MolPort-003-940-846

NINDS_000739

Sefril

SK&F D-39304

SK&F-D39304; SK-D-39304; SQ-11436; SQ-22022 [Dihydrate]; SQ-22022

SK&F-D39304; SK-D-39304; SQ-11436; SQ-22022; SQ-22022 [Dihydrate]

SK-D-39304

SKF D 39304

SQ 11436

SQ-11436

SQ-22022

UNII-9YA6SX5S4D

USAN

USP)

USP); Cefradine (BAN

Velosef

VELOSEF '125'

VELOSEF '250'

VELOSEF '500'

Velosef (TN)

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) -0.36 4.81 -79.03 4 7 0 117 349.412 4 ↓
Hi High (pH 8-9.5) -0.36 4.48 -57.6 3 7 -1 116 348.404 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.78e-01 g/l DrugBank-approved
Therapy antibacterial SMDC Pharmakon
UniProt Database Links CASP8_DROME; CASP8_DROPS; CASP8_HUMAN; CASP9_HUMAN; CASP9_MOUSE; CDC42_CAEEL; CED11_CAEEL; CED12_CAEBR; CED12_CAEEL; CED1_CAEBR; CED1_CAEEL; CED2_CAEBR; CED2_CAEEL; CED3_CAEEL; CED3_CAERE; CED4_CAEBR; CED4_CAEEL; CED6_CAEEL; CED6_DROME; CED7_CAEEL; CED8_C ChEBI
PUBCHEM_PATENT_ID EP0001567A1; EP0002574A1; EP0005348A1; EP0008899A1; EP0010369A1; EP0011173A1; EP0017246A1; EP0024832A1; EP0025271A1; EP0025495A1; EP0027258A1; EP0027323A1; EP0027324A1; EP0028497A1; EP0030719A1; EP0031708A2; EP0033209A1; EP0034347A2; EP0041768A2; EP004417 IBM Patent Data
Patent Database Links EP0953569; EP1815846; EP1829527; EP1829528; EP1988093; GB2157565; US2007190151; US2007202051; US2007202077; US2007212340; US2007218124; US2007248666; US2008255073; WO2005003367; WO2005009948; WO2005020894; WO2007112581 ChEBI

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