NEOSAXITOXIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17N7O5
Molecular Weight	315.2859
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NEOSAXITOXIN

Structure Search

SMILES

[H][C@@]12N=C(N)N[C@]13N(CCC3(O)O)C(=N)N(O)[C@H]2COC(N)=O

InChI

InChIKey=PPEKGEBBBBNZKS-HGRQIUPRSA-N

InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H17N7O5
Molecular Weight	315.2859
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 19:15:11 UTC 2023` Edited by `admin` on `Fri Dec 15 19:15:11 UTC 2023`
Record UNII	6YRL8BWD9H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOSAXITOXIN

Official Name

English

NEOSTX

Brand Name

English

(3AS,4R,10AS)-2-AMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,5,6,8,9-HEXAHYDRO-5-HYDROXY-6-IMINO-1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL

Systematic Name

English

1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2-AMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,5,6,8,9-HEXAHYDRO-5-HYDROXY-6-IMINO-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-

Systematic Name

English

Code System Code Type Description

CAS

64296-20-4

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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FDA UNII

6YRL8BWD9H

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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MESH

C034902

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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EPA CompTox

DTXSID70880098

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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DRUG BANK

DB12989

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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WIKIPEDIA

Neosaxitoxin

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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CHEBI

167561

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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SMS_ID

300000042530

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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PUBCHEM

21117946

Created by admin on Fri Dec 15 19:15:11 UTC 2023 , Edited by admin on Fri Dec 15 19:15:11 UTC 2023

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ACTIVE MOIETY