SAXITOXIN (CARBOXYMETHYL)OXIME

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H18N8O5
Molecular Weight	354.3219
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SAXITOXIN (CARBOXYMETHYL)OXIME

Structure Search

SMILES

NC(=O)OC[C@@H]1NC(=N)N2CC\C(=N/OCC(O)=O)[C@@]23NC(=N)N[C@@H]13

InChI

InChIKey=XNQWVSVTMCJSKR-QXNSDESSSA-N

InChI=1S/C12H18N8O5/c13-9-17-8-5(3-24-11(15)23)16-10(14)20-2-1-6(12(8,20)18-9)19-25-4-7(21)22/h5,8H,1-4H2,(H2,14,16)(H2,15,23)(H,21,22)(H3,13,17,18)/b19-6+/t5-,8-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H18N8O5
Molecular Weight	354.3219
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:37:45 GMT 2025` Edited by `admin` on `Tue Apr 01 22:37:45 GMT 2025`
Record UNII	Y64BP5X8XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETIC ACID, (((2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-1H,10H-PYRROLO(1,2-C)PURIN-10-YLIDENE)AMINO)OXY)-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-

Preferred Name

English

SAXITOXIN (CARBOXYMETHYL)OXIME

Common Name

English

Code System Code Type Description

CAS

108045-01-8

Created by admin on Tue Apr 01 22:37:45 GMT 2025 , Edited by admin on Tue Apr 01 22:37:45 GMT 2025

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PUBCHEM

135564539

Created by admin on Tue Apr 01 22:37:45 GMT 2025 , Edited by admin on Tue Apr 01 22:37:45 GMT 2025

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FDA UNII

Y64BP5X8XF

Created by admin on Tue Apr 01 22:37:45 GMT 2025 , Edited by admin on Tue Apr 01 22:37:45 GMT 2025

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SAXITOXIN

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Amount: