TOXIFERINE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H46N4O2
Molecular Weight	614.8188
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@]3([H])C4=CN5C6=CC=CC=C6[C@]78CC[N@@+]9(C)C\C(=C\CO)[C@]([H])(C[C@@]79[H])C(=CN%10C%11=CC=CC=C%11[C@@]1(CC[N@@+]2(C)C\C3=C\CO)[C@]4%10[H])[C@]58[H]

InChI

InChIKey=IIYHWTVUYIYKKG-QQRSFBQTSA-N

InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H44N4O2
Molecular Weight	612.803
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	8 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
The role of the non-depolarizing drugs in the prevention of suxamethonium bradycardia.	1970 Jul	4247670

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:06:47 UTC 2023` Edited by `admin` on `Fri Dec 15 20:06:47 UTC 2023`
Record UNII	9M7D9K3OJI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOXIFERINE

Common Name

English

TOXIFERINE I, 2,2',16,16'-TETRADEHYDRO-16,16',17,17'-TETRAHYDRO-

Common Name

English

Code System Code Type Description

CAS

302-30-7