CEFOSELIS

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H22N8O6S2
Molecular Weight	522.558
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CEFOSELIS

Structure Search

SMILES

[H][C@]12SCC(C[N+]3=CC=C(N)N3CCO)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C([O-])=O

InChI

InChIKey=BHXLLRXDAYEMPP-SBGRAJFYSA-N

InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H22N8O6S2
Molecular Weight	522.558
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:40:22 UTC 2023` Edited by `admin` on `Fri Dec 15 17:40:22 UTC 2023`
Record UNII	0B50MLU3H1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CEFOSELIS

Official Name

English

(-)-5-AMINO-2-(((6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-1-(2-HYDROXYETHYL)PYRAZOLIUM HYDROXIDE, INNER SALT, 7(SUP 2)-(Z)-(O-METHYLOXIME

Common Name

English

CEFOSELIS [MI]

Common Name

English

cefoselis [INN]

Common Name

English

(-)-5-AMINO-2-(((6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-1-(2-HYDROXYETHYL)PYRAZOLIUM HYDROXIDE, INNER SALT, 72-(Z)-(O-METHYLOXIME)

Common Name

English

Cefoselis [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C357

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C79420

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

PRIMARY

EPA CompTox

DTXSID3048285

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

PRIMARY

MESH

C079769

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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CAS

122841-10-5

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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EVMPD

SUB07404MIG

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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ChEMBL

CHEMBL2105940

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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CHEBI

3496

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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WIKIPEDIA

CEFOSELIS

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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FDA UNII

0B50MLU3H1

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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MERCK INDEX

m3203

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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Merck Index

PUBCHEM

5748845

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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DRUG CENTRAL

545

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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INN

7171

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

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SMS_ID

100000081805

Created by admin on Fri Dec 15 17:40:22 UTC 2023 , Edited by admin on Fri Dec 15 17:40:22 UTC 2023

PRIMARY

Related Record Type Details


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OCTN-2

TRANSPORTER -> INHIBITOR

Related Record Type Details


					0B50MLU3H1

CEFOSELIS

ACTIVE MOIETY