MAZATICOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H27NO3S2
Molecular Weight	405.574
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MAZATICOL

Structure Search

SMILES

CN1[C@@H]2CCC(C)(C)[C@@H]1C[C@@H](C2)OC(=O)C(O)(C3=CC=CS3)C4=CC=CS4

InChI

InChIKey=AMHPTVWBZSYFSS-HWOWSKLDSA-N

InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/t14?,15-,16?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO3S2
Molecular Weight	405.574
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:12:31 UTC 2023` Edited by `admin` on `Fri Dec 15 16:12:31 UTC 2023`
Record UNII	I6X824OGWZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAZATICOL

Official Name

English

(±)-2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, -(1R*,3R*,5R*)-6,6,9-TRIMETHYL-9-AZABICYCLO(3.3.1)NON-3-YL ESTER

Common Name

English

Mazaticol [WHO-DD]

Common Name

English

6,6,9-TRIMETHYL-9-AZABICYCLO(3.3.1)NON-3.BETA.-YL DI-2-THIENYLGLYCOLATE

Common Name

English

mazaticol [INN]

Common Name

English

2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, (1R,3R,5R)-6,6,9-TRIMETHYL-9-AZABICYCLO(3.3.1)NON-3-YL ESTER, REL-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

WHO-ATC

N04AA10

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

WHO-VATC

QN04AA10

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

Code System Code Type Description

CAS

42024-98-6

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID1057743

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

PRIMARY

FDA UNII

I6X824OGWZ

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

PRIMARY

DRUG BANK

DB13448

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

PRIMARY

EVMPD

SUB08655MIG

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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DRUG CENTRAL

1639

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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SMS_ID

100000081727

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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MESH

C003706

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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PUBCHEM

10431413

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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WIKIPEDIA

MAZATICOL

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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NCI_THESAURUS

C82233

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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INN

3410

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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ChEMBL

CHEMBL2105187

Created by admin on Fri Dec 15 16:12:31 UTC 2023 , Edited by admin on Fri Dec 15 16:12:31 UTC 2023

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Related Record Type Details


					44WQI5180Q

MAZATICOL HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					I6X824OGWZ

MAZATICOL

ACTIVE MOIETY