MACUSINE A IODIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27N2O3.I
Molecular Weight	494.3659
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].[H][C@@]12CC3=C(NC4=C3C=CC=C4)[C@@H]5C[C@@H](\C(C[N@+]15C)=C/C)[C@@]2(CO)C(=O)OC

InChI

InChIKey=VVOSRYHOWNMDIG-PVFPYHDPSA-M

InChI=1S/C22H27N2O3.HI/c1-4-13-11-24(2)18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23-20(15)18;/h4-8,16,18-19,23,25H,9-12H2,1-3H3;1H/q+1;/p-1/b13-4-;/t16-,18-,19-,22+,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O3
Molecular Weight	366.4534
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	HI
Molecular Weight	127.9124
Charge	0
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 `Sat Dec 16 00:40:48 UTC 2023` Edited by `admin` on `Sat Dec 16 00:40:48 UTC 2023`
Record UNII	964B970QGG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MACUSINE A IODIDE

Common Name

English

N-METHYLPOLYNEURIDINIUM IODIDE

Common Name

English

SARPAGANIUM, 17-HYDROXY-16-(METHOXYCARBONYL)-4-METHYL-, IODIDE (1:1), (16R)-

Systematic Name

English

16-EPIMACUSINE C IODIDE

Common Name

English

SARPAGANIUM, 17-HYDROXY-16-(METHOXYCARBONYL)-4-METHYL-, IODIDE, (16R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91617841

Created by admin on Sat Dec 16 00:40:48 UTC 2023 , Edited by admin on Sat Dec 16 00:40:48 UTC 2023

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FDA UNII

964B970QGG

Created by admin on Sat Dec 16 00:40:48 UTC 2023 , Edited by admin on Sat Dec 16 00:40:48 UTC 2023

PRIMARY

CAS

58462-33-2

Created by admin on Sat Dec 16 00:40:48 UTC 2023 , Edited by admin on Sat Dec 16 00:40:48 UTC 2023

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