SIMENEPAG

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29NO5S
Molecular Weight	431.545
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](COCC3=CC=C(S3)C(O)=O)CCC2=O

InChI

InChIKey=NGKFLYGSJDSBQC-QUCCMNQESA-N

InChI=1S/C23H29NO5S/c1-2-3-4-5-20(25)16-6-8-17(9-7-16)24-18(10-13-22(24)26)14-29-15-19-11-12-21(30-19)23(27)28/h6-9,11-12,18,20,25H,2-5,10,13-15H2,1H3,(H,27,28)/t18-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H29NO5S
Molecular Weight	431.545
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:47:04 UTC 2023` Edited by `admin` on `Fri Dec 15 19:47:04 UTC 2023`
Record UNII	V0LI771S16
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMENEPAG

Official Name

English

5-((((2R)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXOPYRROLIDIN-2-YL)METHOXY)METHYL) THIOPHENE-2-CARBOXYLIC ACID

Systematic Name

English

SIMENEPAG [USAN]

Common Name

English

Simenepag [WHO-DD]

Common Name

English

simenepag [INN]

Common Name

English

AGN210676

Code

English

2-THIOPHENECARBOXYLIC ACID,5-((((2R)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXO-2-PYRROLIDINYL)METHOXY)METHYL)-

Common Name

English

AGN-210676

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29705