ACT-001 FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H27NO3.C4H4O4
Molecular Weight	409.4733
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.CN(C)C[C@H]1[C@@H]2CCC(C)=C3CC[C@@](C)(O)[C@@H]3[C@H]2OC1=O

InChI

InChIKey=PDWGVXJIDIRQME-DCNFBYMVSA-N

InChI=1S/C17H27NO3.C4H4O4/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20;5-3(6)1-2-4(7)8/h12-15,20H,5-9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,13-,14-,15-,17+;/m0./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	C17H27NO3
Molecular Weight	293.4012
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 `Tue Apr 01 21:10:59 GMT 2025` Edited by `admin` on `Tue Apr 01 21:10:59 GMT 2025`
Record UNII	KM6239D2QV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,3AS,9R,9AS,9BS)-3-((DIMETHYLAMINO)METHYL)-9-HYDROXY-6,9-DIMETHYL-3,3A,4,5,7,8,9,9A-OCTAHYDROAZULENO(4,5-B)FURAN-2(9BH)-ONE FUMARATE

Preferred Name

English

ACT-001 FUMARATE

Code

English

Dimethylaminomicheliolide Fumarate

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

610217