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Compound Summary

cephradine

Compound Information

cephradine

Compound Name:	cephradine
Compound CID:	38103
Synonyms:	cephradine Cefradine 38821-53-3 Cephradin Anspor More...
Iupac Name:	(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
InChI:	InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChIKey:	RDLPVSKMFDYCOR-UEKVPHQBSA-N
Canonical Smiles:	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O
Isomeric Smiles:	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
Molecular Weight:	349.4
Molecular Formula:	C16H19N3O4S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

cephradine

Molecular Weight:	349.4
Molecular Formula:	C16H19N3O4S
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Heavy Atom Count:	24
Complexity:	697

Synonyms

cephradine

cephradine	cephradine
cephradine	Cefradine
38821-53-3	Cephradin
Anspor	Sefril
Velosef	Cefradina
Cefradinum	Eskacef
Cefradin	SQ 11436
SQ-11436	UNII-9YA6SX5S4D
7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid	CHEBI:3547
(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-ylacetylamino-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
9YA6SX5S4D	(6R,7R)-7-{(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetylamino}-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
CED	NCGC00183036-01
DSSTox_CID_2785	Cefradinum INN-Latin
Cephradine USAN:BAN	DSSTox_RID_76729
Cefradina INN-Spanish	DSSTox_GSID_22785
(6R,7R)-7-(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid	(7R)-7-(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetylamino-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
Cekodin	Megacef
Velocef	Megace f
SKF D 39304	(6R,7R)-7-((R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
Cephradine (USP)	Velosef (TN)
VELOSEF 125"	VELOSEF 250"
VELOSEF 500	Anspor (TN)
CAS-38821-53-3	HSDB 3216
Cefradine (JAN/INN)	EINECS 254-137-8
BRN 6075388	Infexin
Cephradine,(S)	Cefradine INN
(6R,7R)-7-((R)-2-amino-2-(cyclohexa-1,4-dienyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid	SK&F D-39304
SK-D-39304	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*)))-
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	SQ-22022
Epitope ID:116210	SCHEMBL3244
CHEMBL1604	DivK1c_000739
AMY500	GTPL4830
DTXSID4022785	HMS502E21
KBio1_000739	NINDS_000739
BCPP000291	SQ 22022 DIHYDRATE
HY-B1156	ZINC3830515
Tox21_113488	BDBM50370585
MFCD00865048	s4671
AKOS015961130	Tox21_113488_1
AC-1409	BCP9000506
CCG-208520	CS-4608
DB01333	NSC 756672
IDI1_000739	Cefradine 100 microg/mL in Acetonitrile
NCGC00183036-02	NCGC00263658-01
7beta-(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido-3-methyl-3,4-didehydrocepham-4-carboxylic acid	AS-75158
C06897	C74975
D00264	821C533
Q2734674	Cefradine, European Pharmacopoeia (EP) Reference Standard
UNII-F1BC02I72W component RDLPVSKMFDYCOR-UEKVPHQBSA-N	Cefradine for peak identification, European Pharmacopoeia (EP) Reference Standard
5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid,7-(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetylamino-3-methyl-8-oxo-,(6R,7R)-	5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid,7-(2R)-amino-1,4-cyclohexadien-1-ylacetylamino-3-methyl-8-oxo-,(6R,7R)-

Experimental Data

cephradine

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			10.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

cephradine

Statistics Data

cephradine

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	10.000000000000000		1	1

Statistics Data Visualization

cephradine

Compound Name:

cephradine

Compound CID:

38103

Synonyms:

cephradine Cefradine 38821-53-3 Cephradin Anspor More...

Iupac Name:

(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

InChI:

InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

InChIKey:

RDLPVSKMFDYCOR-UEKVPHQBSA-N

Canonical Smiles:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

Isomeric Smiles:

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O

Molecular Weight:

349.4

Molecular Formula:

C16H19N3O4S

Molecular Weight:

349.4

Molecular Formula:

C16H19N3O4S

Hydrogen Bond Donor Count:

3

Hydrogen Bond Acceptor Count:

6

Rotatable Bond Count:

4

Heavy Atom Count:

24

Complexity:

697

cephradine

Cefradine

38821-53-3

Cephradin

Anspor

Sefril

Velosef

Cefradina

Cefradinum

Eskacef

Cefradin

SQ 11436

SQ-11436

UNII-9YA6SX5S4D

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

CHEBI:3547

(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-ylacetylamino-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid

9YA6SX5S4D

(6R,7R)-7-{(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetylamino}-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid

CED

NCGC00183036-01

DSSTox_CID_2785

Cefradinum INN-Latin

Cephradine USAN:BAN

DSSTox_RID_76729

Cefradina INN-Spanish

DSSTox_GSID_22785

(6R,7R)-7-(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid

(7R)-7-(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetylamino-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid

Cekodin

Megacef

Velocef

Megace f

SKF D 39304

(6R,7R)-7-((R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid

Cephradine (USP)

Velosef (TN)

VELOSEF 125"

VELOSEF 250"

VELOSEF 500

Anspor (TN)

CAS-38821-53-3

HSDB 3216

Cefradine (JAN/INN)

EINECS 254-137-8

cephradine

Cefradine

38821-53-3

Cephradin

Anspor

More...