TALABOSTAT MESYLATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H19BN2O3.CH4O3S
Molecular Weight	310.175
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TALABOSTAT MESYLATE

Structure Search

SMILES

CS(O)(=O)=O.CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

InChI

InChIKey=OXYYOEIGQRXGPI-WSZWBAFRSA-N

InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C9H19BN2O3
Molecular Weight	214.07
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 `Fri Dec 15 16:02:19 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:19 UTC 2023`
Record UNII	V8ZG4Y1B51
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALABOSTAT MESYLATE

Official Name

English

TALABOSTAT MESILATE

Common Name

English

((2R)-1-((2S)-2-AMINO-3-METHYLBUTANOYL)PYRROLIDIN-2-YL)BORONIC ACID METHANESULPHONATE

Systematic Name

English

PT-100

Code

English

BORONIC ACID, ((2R)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL) MONOMETHANESULFONATE

Common Name

English

[(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid methanesulfonate

Systematic Name

English

BORONIC ACID, ((2R)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL) MONOMETHANESULPHONATE

Common Name

English

TALABOSTAT MESYLATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C783

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

Code System Code Type Description

SMS_ID

300000003700

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

DRUG BANK

DBSALT001996

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

PUBCHEM

11522448

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID70164466

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

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ChEMBL

CHEMBL67279

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

USAN

RR-68

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

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CAS

150080-09-4

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

NCI_THESAURUS

C80682

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

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FDA UNII

V8ZG4Y1B51

Created by admin on Fri Dec 15 16:02:19 UTC 2023 , Edited by admin on Fri Dec 15 16:02:19 UTC 2023

PRIMARY

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