BATRACHOTOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42N2O6
Molecular Weight	538.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](OC(=O)C1=C(C)NC=C1C)C2=CC[C@@]34OCCN(C)C[C@@]23C[C@@H](O)[C@]56O[C@]7(O)CC[C@@]5(C)[C@H](CC=C46)C7

InChI

InChIKey=ISNYUQWBWALXEY-OMIQOYQYSA-N

InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H42N2O6
Molecular Weight	538.675
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
The poison Dart frog's batrachotoxin modulates Nav1.8.	2004-11-05	15527793
Interaction of batrachotoxin with the local anesthetic receptor site in transmembrane segment IVS6 of the voltage-gated sodium channel.	1998-11-10	9811906
Point mutations in segment I-S6 render voltage-gated Na+ channels resistant to batrachotoxin.	1998-03-03	9482942
Binding of [3H]batrachotoxinin A benzoate to specific sites on rat cardiac sodium channels.	1986-12	2431264

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:20 GMT 2025`
Record UNII	TSG6XHX09R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BATRACHOTOXIN [MI]

Preferred Name

English

BATRACHOTOXIN

Common Name

English

1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-, (1S)-1-((5AR,7AR,9R,11AS,11BS,12R,13AR)-1,2,3,4,7A,8,9,10,11,11A,12,13-DODECAHYDRO-9,12-DIHYDROXY-2,11A-DIMETHYL-7H-9,11B-EPOXY-13A,5A-PROPENOPHENANTHRO(2,1-F)(1,4)OXAZEPIN-14-YL)ETHYL ESTER

Systematic Name

English

BATRACHOTOXININ A, 20-(2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE)

Common Name

English

BTX

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C688