LY-53857

Details

Stereochemistry	MIXED
Molecular Formula	C23H32N2O3.C4H4O4
Molecular Weight	500.5839
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CN(C(C)C)C4=C3C2=CC=C4)N(C)C1

InChI

InChIKey=DYJVZTAMQYDCLP-VCSAJMHUSA-N

InChI=1S/C23H32N2O3.C4H4O4/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26;5-3(6)1-2-4(7)8/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,15?,17-,19-,21-;/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	C23H32N2O3
Molecular Weight	384.5118
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:30:47 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:47 GMT 2025`
Record UNII	L37TVX7U5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-53857

Common Name

English

4-ISOPROPYL-7-METHYL-9-(2-HYDROXY-1-METHYLPROPOXYCARBONYL)-4,6,6.ALPHA.,7,8,9,10,10.ALPHA.-OCTAHYDROINDOLO(4,3-FG)QUINOLINE MALEATE

Preferred Name

English

ERGOLINE-8-CARBOXYLIC ACID, 6-METHYL-1-(1-METHYLETHYL)-, 2-HYDROXY-1-METHYLPROPYL ESTER, (8.BETA.)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

ERGOLINE-8-CARBOXYLIC ACID, 6-METHYL-1-(1-METHYLETHYL)-, 2-HYDROXY-1-METHYLPROPYL ESTER, (8.BETA.)-, (2Z)-2-BUTENEDIOATE (1:1) (SALT)

Systematic Name

English

Code System Code Type Description

CAS

60634-51-7

Created by admin on Tue Apr 01 16:30:47 GMT 2025 , Edited by admin on Tue Apr 01 16:30:47 GMT 2025

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FDA UNII

L37TVX7U5M

Created by admin on Tue Apr 01 16:30:47 GMT 2025 , Edited by admin on Tue Apr 01 16:30:47 GMT 2025

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PUBCHEM

6437377

Created by admin on Tue Apr 01 16:30:47 GMT 2025 , Edited by admin on Tue Apr 01 16:30:47 GMT 2025

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Related Record Type Details


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LY-53857 FREE BASE

PARENT -> SALT/SOLVATE