Malouetine diiodide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H52N2.2I
Molecular Weight	658.5241
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].[I-].C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)[N+](C)(C)C)[N+](C)(C)C

InChI

InChIKey=ZKPCQHGEQUQGJK-DMZQXVSVSA-L

InChI=1S/C27H52N2.2HI/c1-19(28(4,5)6)23-12-13-24-22-11-10-20-18-21(29(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3;;/h19-25H,10-18H2,1-9H3;2*1H/q+2;;/p-2/t19-,20-,21-,22-,23+,24-,25-,26-,27+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C27H52N2
Molecular Weight	404.7152
Charge	2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	I
Molecular Weight	126.90447
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:43:02 GMT 2025` Edited by `admin` on `Wed Apr 02 08:43:02 GMT 2025`
Record UNII	6BQ2F53TRG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MALOUETINE

Preferred Name

English

Malouetine diiodide

Common Name

English

AMMONIUM, 5.ALPHA.-PREGNAN-3.BETA.,20.ALPHA.-YLENEBIS(TRIMETHYL-, DIIODIDE

Systematic Name

English

Malouetine iodide

Common Name

English

5.ALPHA.-PREGNANE, 3.BETA.,20.ALPHA.-BIS(TRIMETHYLAMMONIO)-, DIIODIDE

Systematic Name

English

5.ALPHA.-PREGNAN-3.BETA.,20.ALPHA.-YLENEBIS(TRIMETHYLAMMONIUM IODIDE)

Systematic Name

English

3.BETA.,20.ALPHA.-BISDIMETHYLAMINO-5.ALPHA.-PREGNANE METHIODIDE

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Malouetine