LX-201

Details

Stereochemistry	UNKNOWN
Molecular Formula	C21H28NO6.C2H3O2
Molecular Weight	449.4941
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC([O-])=O.C\C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=C3[C@@H](CC[N+]3(C)C=C2)OC1=O

InChI

InChIKey=HEFVRFGSCMTUTB-AHDIUFBRSA-M

InChI=1S/C21H28NO6.C2H4O2/c1-6-15-11-13(2)21(4,28-14(3)23)20(25)26-12-16-7-9-22(5)10-8-17(18(16)22)27-19(15)24;1-2(3)4/h6-7,9,13,17H,8,10-12H2,1-5H3;1H3,(H,3,4)/q+1;/p-1/b15-6+;/t13-,17-,21-,22?;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H3O2
Molecular Weight	59.044
Charge	-1
Count

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

Molecular Formula	C21H28NO6
Molecular Weight	390.4501
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:23 UTC 2023` Edited by `admin` on `Sat Dec 16 08:29:23 UTC 2023`
Record UNII	10EHY3D8GY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LX-201

Common Name

English

12-(ACETYLOXY)-3,8-DIDEHYDRO-4-METHYL-11,16-DIOXOSENECIONANIUM A

Common Name

English

LX201

Code

English

(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINIUM, 6-(ACETYLOXY)-3-ETHYLIDENE-2,3,4,5,6,7,9,13,14,14A-DECAHYDRO-5,6,12-TRIMETHYL-2,7-DIOXO-, (3E,5R,6R,14AR)-, ACETATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

71673-83-1

Created by admin on Sat Dec 16 08:29:23 UTC 2023 , Edited by admin on Sat Dec 16 08:29:23 UTC 2023

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PUBCHEM

92135827

Created by admin on Sat Dec 16 08:29:23 UTC 2023 , Edited by admin on Sat Dec 16 08:29:23 UTC 2023

PRIMARY

FDA UNII

10EHY3D8GY

Created by admin on Sat Dec 16 08:29:23 UTC 2023 , Edited by admin on Sat Dec 16 08:29:23 UTC 2023

PRIMARY

DRUG BANK

DB04943

Created by admin on Sat Dec 16 08:29:23 UTC 2023 , Edited by admin on Sat Dec 16 08:29:23 UTC 2023

PRIMARY

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ACTIVE MOIETY