TANDOSPIRONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H29N5O2
Molecular Weight	383.4873
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TANDOSPIRONE

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(CCCCN4CCN(CC4)C5=NC=CC=N5)C2=O

InChI

InChIKey=CEIJFEGBUDEYSX-FZDBZEDMSA-N

InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-

HIDE SMILES / InChI

Molecular Formula	C21H29N5O2
Molecular Weight	383.4873
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:05:04 UTC 2023` Edited by `admin` on `Fri Dec 15 16:05:04 UTC 2023`
Record UNII	190230I669
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TANDOSPIRONE

Official Name

English

Tandospirone [WHO-DD]

Common Name

English

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, (3A.ALPHA.,4.BETA.,7.BETA.,7A.ALPHA.)-

Common Name

English

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, (3AR,4S,7R,7AS)-REL-

Common Name

English

tandospirone [INN]

Common Name

English

(1R*,2S*,3R*,4S*)-N-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-2,3-NORBORNANEDICARBOXIMIDE

Common Name

English

TANDOSPIRONE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

Code System Code Type Description

DRUG BANK

DB12833

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL274047

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

SMS_ID

100000082423

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID6048836

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

WIKIPEDIA

Tandospirone

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

CHEBI

145673

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

MESH

C055267

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

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NCI_THESAURUS

C87208

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

INN

6332

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

PUBCHEM

91273

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

DRUG CENTRAL

2563

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

CAS

87760-53-0

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

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EVMPD

SUB10829MIG

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

FDA UNII

190230I669

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

MERCK INDEX

m10453

Created by admin on Fri Dec 15 16:05:04 UTC 2023 , Edited by admin on Fri Dec 15 16:05:04 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


					190230I669

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