METHYSERGIDE DIMALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27N3O2.2C4H4O4
Molecular Weight	585.6023
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO

InChI

InChIKey=FUYUWMZGKBNTIB-VMTAUMJGSA-N

InChI=1S/C21H27N3O2.2C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;2*5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t14-,15+,19-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C21H27N3O2
Molecular Weight	353.458
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:06:12 UTC 2023` Edited by `admin` on `Sat Dec 16 02:06:12 UTC 2023`
Record UNII	EMS84N8S7Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYSERGIDE DIMALEATE

Common Name

English

ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(1-(HYDROXYMETHYL)PROPYL)-1,6-DIMETHYL-, (8.BETA.(S))-, (2Z)-2-BUTENEDIOATE (1:2) (SALT)

Systematic Name

English

ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(1-(HYDROXYMETHYL)PROPYL)-1,6-DIMETHYL-, (8.BETA.(S))-, (Z)-2-BUTENEDIOATE (1:2) (SALT)

Systematic Name

English

Code System Code Type Description

CAS

120220-03-3

Created by admin on Sat Dec 16 02:06:12 UTC 2023 , Edited by admin on Sat Dec 16 02:06:12 UTC 2023

PRIMARY

PUBCHEM

21158509

Created by admin on Sat Dec 16 02:06:12 UTC 2023 , Edited by admin on Sat Dec 16 02:06:12 UTC 2023

PRIMARY

FDA UNII

EMS84N8S7Y

Created by admin on Sat Dec 16 02:06:12 UTC 2023 , Edited by admin on Sat Dec 16 02:06:12 UTC 2023

PRIMARY

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