DIPYRANDIUM IODIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H52N2.2I
Molecular Weight	682.5455
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].[I-].[H][C@@]12CC[C@@H]([C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](CC[C@]34C)[N+]5(C)CCCC5)[N+]6(C)CCCC6

InChI

InChIKey=MFQJSNKMXLSFCD-UADHMQRGSA-L

InChI=1S/C29H52N2.2HI/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28;;/h22-27H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25-,26-,27-,28-,29-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	I
Molecular Weight	126.9045
Charge	-1
Count

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

Molecular Formula	C29H52N2
Molecular Weight	428.7366
Charge	2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:43:54 UTC 2023` Edited by `admin` on `Sat Dec 16 13:43:54 UTC 2023`
Record UNII	XMR4CN9YAU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPYRANDIUM IODIDE

Common Name

English

PYRROLIDINIUM, 1,1'-((3.BETA.,5.ALPHA.,17.BETA.)-ANDROSTANE-3,17-DIYL)BIS(1-METHYL-, IODIDE (1:2)

Systematic Name

English

1,1'-(5.ALPHA.-ANDROSTAN-3.BETA.,17.BETA.-YLENE)BIS(1-METHYLPYRROLIDINIUM IODIDE)

Systematic Name

English

1-((3S,5S,8R,9S,10S,13S,14S,17S)-10,13-DIMETHYL-3-(1-METHYLPYRROLIDIN-1-IUM-1-YL)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)-1-METHYLPYRROLIDIN-1-IUM,DIIODIDE

Systematic Name

English

3.BETA.,17.BETA.-DI(1-PYRROLIDINYL)-5.ALPHA.-ANDROSTANE DIMETHIODIDE

Systematic Name

English

Code System Code Type Description

CAS

33235-64-2

Created by admin on Sat Dec 16 13:43:54 UTC 2023 , Edited by admin on Sat Dec 16 13:43:54 UTC 2023

PRIMARY

PUBCHEM

160227

Created by admin on Sat Dec 16 13:43:54 UTC 2023 , Edited by admin on Sat Dec 16 13:43:54 UTC 2023

PRIMARY

FDA UNII

XMR4CN9YAU

Created by admin on Sat Dec 16 13:43:54 UTC 2023 , Edited by admin on Sat Dec 16 13:43:54 UTC 2023

PRIMARY

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