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Compound Summary

carbenicillin

Compound Information

carbenicillin

Compound Name:	carbenicillin
Compound CID:	20824
Synonyms:	carbenicillin Carboxybenzylpenicillin 4697-36-3 alpha-Carboxybenzylpencillin Carbenicilina More...
Iupac Name:	(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI:	InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1
InChIKey:	FPPNZSSZRUTDAP-UWFZAAFLSA-N
Canonical Smiles:	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C
Isomeric Smiles:	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C
Molecular Weight:	378.4
Molecular Formula:	C17H18N2O6S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

carbenicillin

Molecular Weight:	378.4
Molecular Formula:	C17H18N2O6S
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	5
Heavy Atom Count:	26
Complexity:	645

Synonyms

carbenicillin

carbenicillin	carbenicillin
carbenicillin	Carboxybenzylpenicillin
4697-36-3	alpha-Carboxybenzylpencillin
Carbenicilina	Carbenicilline
Carbenicillinum	Carboxybenzylpenicillin acid
Pyopen	CBPC
Carbenicillina DCIT	alpha-Phenyl(carboxymethylpenicillin)
Carbenicilina INN-Spanish	Carbenicilline INN-French
Carbenicillinum INN-Latin	Geopen
UNII-G42ZU72N5G	CHEBI:3393
C17H18N2O6S	G42ZU72N5G
(2S,5R,6R)-6-(2-carboxy-2-phenylacetyl)amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid	(2S,5R,6R)-6-{carboxy(phenyl)acetylamino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid
N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid	Carbenicillina
BRL-2064	Carbenicillin INN:BAN
(2S,5R,6R)-6-(2-carboxy-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid	Carbenicillin (INN)
HSDB 3020	EINECS 225-171-0
6-(alpha-Carboxyphenylacetamido)penicillanic acid	CP 15639-2
CP-15-639-2	NSC111071
(2S,5R,6R)-6-(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid	N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid
Spectrum_000098	Spectrum2_000120
Spectrum3_000326	Spectrum4_000263
Spectrum5_000900	Epitope ID:116648
SCHEMBL3375	CHEMBL1214
BSPBio_001931	KBioGR_000726
KBioSS_000518	4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxyphenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenyl-	DivK1c_000735
SPBio_000140	DTXSID6048464
GTPL10768	KBio1_000735
KBio2_000518	KBio2_003086
KBio2_005654	KBio3_001151
BRL2064	NINDS_000735
BCP28512	HY-B0525
3523AH	6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid
DB00578	IDI1_000735
SBI-0051303.P003	CP-156392
C06869	D07614
Klebsiella Selective Supplement, for microbiology	Q1050019
Carbenicillin, Ready Made Solution, 100 mg/mL in ethanol/water, 0.2 mum filtered	4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 6-(carboxyphenylacetyl)amino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

Experimental Data

carbenicillin

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	6.000000000000000	ug/mL	18.100000000000000	22.700000000000000	15.800000000000000				Unclear			23698443

Experimental Data Visualization

carbenicillin

Statistics Data

carbenicillin

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	15.800000000000000		1	1

Statistics Data Visualization

carbenicillin

Compound Name:

carbenicillin

Compound CID:

20824

Synonyms:

carbenicillin Carboxybenzylpenicillin 4697-36-3 alpha-Carboxybenzylpencillin Carbenicilina More...

Iupac Name:

(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

InChI:

InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1

InChIKey:

FPPNZSSZRUTDAP-UWFZAAFLSA-N

Canonical Smiles:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C

Isomeric Smiles:

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C

Molecular Weight:

378.4

Molecular Formula:

C17H18N2O6S

Molecular Weight:

378.4

Molecular Formula:

C17H18N2O6S

Hydrogen Bond Donor Count:

3

Hydrogen Bond Acceptor Count:

7

Rotatable Bond Count:

5

Heavy Atom Count:

26

Complexity:

645

carbenicillin

Carboxybenzylpenicillin

4697-36-3

alpha-Carboxybenzylpencillin

Carbenicilina

Carbenicilline

Carbenicillinum

Carboxybenzylpenicillin acid

Pyopen

CBPC

Carbenicillina DCIT

alpha-Phenyl(carboxymethylpenicillin)

Carbenicilina INN-Spanish

Carbenicilline INN-French

Carbenicillinum INN-Latin

Geopen

UNII-G42ZU72N5G

CHEBI:3393

C17H18N2O6S

G42ZU72N5G

(2S,5R,6R)-6-(2-carboxy-2-phenylacetyl)amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid

(2S,5R,6R)-6-{carboxy(phenyl)acetylamino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid

N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid

Carbenicillina

BRL-2064

Carbenicillin INN:BAN

(2S,5R,6R)-6-(2-carboxy-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid

Carbenicillin (INN)

HSDB 3020

EINECS 225-171-0

6-(alpha-Carboxyphenylacetamido)penicillanic acid

CP 15639-2

CP-15-639-2

NSC111071

(2S,5R,6R)-6-(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid

N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid

Spectrum_000098

Spectrum2_000120

Spectrum3_000326

Spectrum4_000263

Spectrum5_000900

Epitope ID:116648

SCHEMBL3375

CHEMBL1214

BSPBio_001931

KBioGR_000726

carbenicillin

Carboxybenzylpenicillin

4697-36-3

alpha-Carboxybenzylpencillin

Carbenicilina

More...