SERGOLEXOLE MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36N2O3.C4H4O4
Molecular Weight	540.6478
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.[H][C@@]12CC3=CN(C(C)C)C4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2C)C(=O)O[C@H]5CC[C@@H](CC5)OC

InChI

InChIKey=AWRYUNKJBYLYFR-RTFBGVDVSA-N

InChI=1S/C26H36N2O3.C4H4O4/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20;5-3(6)1-2-4(7)8/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19-,20-,22-,24-;/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	C26H36N2O3
Molecular Weight	424.5756
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:11:09 UTC 2023` Edited by `admin` on `Fri Dec 15 15:11:09 UTC 2023`
Record UNII	XD5AHA648Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SERGOLEXOLE MALEATE

Official Name

English

LY-281067

Code

English

ERGOLINE-8-CARBOXYLIC ACID, 6-METHYL-1-(1-METHYLETHYL)-, TRANS-4-METHOXYCYCLOHEXYL ESTER, (8.BETA.)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

ERGOLINE-8-CARBOXYLIC ACID, 6-METHYL-1-(1-METHYLETHYL)-, 4-METHOXYCYCLOHEXYL ESTER, (8.BETA.(TRANS))-, (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

SERGOLEXOLE MALEATE [USAN]

Common Name

English

TRANS-4-METHOXYCYCLOHEXYL 6-METHYL-1-(1-METHYLETHYL)ERGOLINE-8.BETA.-CARBOXYLATE (Z)-2-BUTENEDIOATE (1:1)

Common Name

English

LY281067

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C66885