RELEBACTAM ANHYDROUS

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H20N4O6S
Molecular Weight	348.375
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RELEBACTAM ANHYDROUS

Structure Search

SMILES

OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC3CCNCC3)C1=O

InChI

InChIKey=SMOBCLHAZXOKDQ-ZJUUUORDSA-N

InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H20N4O6S
Molecular Weight	348.375
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:09:03 UTC 2023` Edited by `admin` on `Sat Dec 16 19:09:03 UTC 2023`
Record UNII	1OQF7TT3PF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RELEBACTAM ANHYDROUS

Common Name

English

Relebactam [WHO-DD]

Common Name

English

relebactam [INN]

Common Name

English

MK-7655

Code

English

(-)-RELEBACTAM ANHYDROUS

Common Name

English

SULFURIC ACID MONO-((2S,5R)-7-OXO-2-(PIPERIDIN-4-YLCARBAMOYL)-1,6-DIAZA-BICYCLO(3.2.1)OCT-6-YL) ESTER

Systematic Name

English

RELEBACTAM [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

Code System Code Type Description

MERCK INDEX

m12234

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID601027689

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

WIKIPEDIA

Relebactam

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

INN

10027

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

FDA UNII

1OQF7TT3PF

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

DAILYMED

1OQF7TT3PF

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

EVMPD

SUB184909

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

NCI_THESAURUS

C152175

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

PUBCHEM

44129647

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

SMS_ID

100000170770

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

CAS

1174018-99-5

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

RXCUI

2268500

Created by admin on Sat Dec 16 19:09:04 UTC 2023 , Edited by admin on Sat Dec 16 19:09:04 UTC 2023

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

The binding of Relebactam to human plasma proteins is approxi mately22% and is independent ofconcentration at a range of 5 to 50 μM.

Interaction Type:

BINDING

Amount:


					Y1MYA2UHFL

SOLVATE->ANHYDROUS

Amount:


					4HZ67LW8L7

OAT-4

TRANSPORTER -> SUBSTRATE

Comments:

in vitro

Amount:


					ZWJ2Y6JZWY

OAT-3

TRANSPORTER -> SUBSTRATE

Comments:

in vitro

Amount:


					1OQF7TT3PF

RELEBACTAM ANHYDROUS

EXCRETED UNCHANGED

Comments:

In Study PN001, REL was 98.4% and 99.6% excreted in the urine as the parent drug in the two dosing groups that received a single dose of 250 mg.Similarly, in the multiple dose arm, the mean percentage of REL dose excreted unchanged in urine was 90.8% at 250 mg, 99.5% at 125 mg and 95.2% at 375 mg.These results indicate that Relebactam is cleared primarily (>90%) via urinary excretion of the parent drug in humans

Qualification:

URINE

Amount:


					Y1MYA2UHFL

SALT/SOLVATE -> PARENT

Amount:


					0JMN4Q4EUY

CARBAPENEM-HYDROLYZING BETA-LACTAMASE KPC

TARGET -> INHIBITOR

Qualification:

koff

Amount:

Related Record Type Details


					1OQF7TT3PF

RELEBACTAM ANHYDROUS

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC