N-DESETHYL-BRINZOLAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17N3O5S3
Molecular Weight	355.454
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCCN1C[C@H](N)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O

InChI

InChIKey=MVBJPOIMDXIBKC-QMMMGPOBSA-N

InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H17N3O5S3
Molecular Weight	355.454
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:06 UTC 2023` Edited by `admin` on `Sat Dec 16 09:05:06 UTC 2023`
Record UNII	88WG3B2PNK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESETHYL-BRINZOLAMIDE

Common Name

English

AL-8520

Code

English

(R)-4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE 1,1-DIOXIDE

Systematic Name

English

2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE, 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-, 1,1-DIOXIDE, (4R)-

Systematic Name

English

Code System Code Type Description

CAS

404034-55-5

Created by admin on Sat Dec 16 09:05:06 UTC 2023 , Edited by admin on Sat Dec 16 09:05:06 UTC 2023

PRIMARY

PUBCHEM

10021113

Created by admin on Sat Dec 16 09:05:06 UTC 2023 , Edited by admin on Sat Dec 16 09:05:06 UTC 2023

PRIMARY

FDA UNII

88WG3B2PNK

Created by admin on Sat Dec 16 09:05:06 UTC 2023 , Edited by admin on Sat Dec 16 09:05:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID10434352

Created by admin on Sat Dec 16 09:05:06 UTC 2023 , Edited by admin on Sat Dec 16 09:05:06 UTC 2023

PRIMARY

Related Record Type Details


					TRM8CEW4NR

N-DESETHYL-BRINZOLAMIDE OXALATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					9451Z89515

BRINZOLAMIDE

PARENT -> METABOLITE ACTIVE

Qualification:

PLASMA


					9451Z89515

BRINZOLAMIDE

PARENT -> METABOLITE ACTIVE

Comments:

IC50 (CAII): 1.28 nM; IC50 (CAIV): 128 nM

Interaction Type:

BINDING

Qualification:

IC50

Related Record Type Details


					9451Z89515

BRINZOLAMIDE

PARENT -> IMPURITY

Comments:

International patent application: WO2013168186