SAXITOXIN DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17N7O4.2ClH
Molecular Weight	372.208
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=YHAHUGQQOBPXOZ-UIPPETONSA-N

InChI=1S/C10H17N7O4.2ClH/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;;/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2*1H/t4-,5-,10-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H17N7O4
Molecular Weight	299.2865
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 `Sat Dec 16 08:02:57 UTC 2023` Edited by `admin` on `Sat Dec 16 08:02:57 UTC 2023`
Record UNII	VKS19V6FQN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAXITOXIN DIHYDROCHLORIDE

Common Name

English

SAXITOXIN DIHYDROCHLORIDE [MI]

Common Name

English

1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, HYDROCHLORIDE (1:2), (3AS,4R,10AS)-

Systematic Name

English

SAXITOXIN DIHYDROCHLORIDE [HSDB]

Common Name

English

Code System Code Type Description

PUBCHEM

132988485