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

[H][C@]12CC=C3[C@@]45CC=C([C@H](C)OC(=O)C6=C(C)NC=C6C)[C@]4(C[C@@H](O)[C@@]37O[C@](O)(CC[C@@]17C)C2)CN(C)CCO5

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
Binding of [3H]batrachotoxinin A benzoate to specific sites on rat cardiac sodium channels.	1986 Dec	2431264
Point mutations in segment I-S6 render voltage-gated Na+ channels resistant to batrachotoxin.	1998 Mar 3	9482942
Interaction of batrachotoxin with the local anesthetic receptor site in transmembrane segment IVS6 of the voltage-gated sodium channel.	1998 Nov 10	9811906
The poison Dart frog's batrachotoxin modulates Nav1.8.	2004 Nov 5	15527793

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:50:35 UTC 2023` Edited by `admin` on `Sat Dec 16 08:50:35 UTC 2023`
Record UNII	TSG6XHX09R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

BATRACHOTOXIN [MI]

Common 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