5-((4-(4-CHLOROPHENYL)-12-METHYL-10-PHENYL-3-THIA-8,10,11-TRIAZATRICYCLO(7.3.0.0(2,6))DODECA-1(9),2(6),4,7,11-PENTAEN-5-YL)OXY)-5-OXOPENTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20ClN3O4S
Molecular Weight	505.973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((4-(4-CHLOROPHENYL)-12-METHYL-10-PHENYL-3-THIA-8,10,11-TRIAZATRICYCLO(7.3.0.0(2,6))DODECA-1(9),2(6),4,7,11-PENTAEN-5-YL)OXY)-5-OXOPENTANOIC ACID

Structure Search

SMILES

CC1=NN(C2=NC=C3C(OC(=O)CCCC(O)=O)=C(SC3=C12)C4=CC=C(Cl)C=C4)C5=CC=CC=C5

InChI

InChIKey=MDFIHDSLFOQLCU-UHFFFAOYSA-N

InChI=1S/C26H20ClN3O4S/c1-15-22-25-19(14-28-26(22)30(29-15)18-6-3-2-4-7-18)23(34-21(33)9-5-8-20(31)32)24(35-25)16-10-12-17(27)13-11-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,31,32)

HIDE SMILES / InChI

Molecular Formula	C26H20ClN3O4S
Molecular Weight	505.973
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:42:57 GMT 2025` Edited by `admin` on `Mon Mar 31 23:42:57 GMT 2025`
Record UNII	63KV6HN9QX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LASSBIO-341

Preferred Name

English

5-((4-(4-CHLOROPHENYL)-12-METHYL-10-PHENYL-3-THIA-8,10,11-TRIAZATRICYCLO(7.3.0.0(2,6))DODECA-1(9),2(6),4,7,11-PENTAEN-5-YL)OXY)-5-OXOPENTANOIC ACID

Systematic Name

English

1-(2-(4-CHLOROPHENYL)-8-METHYL-6-PHENYL-6H-PYRAZOLO(3,4-B)THIENO(2,3-D)PYRIDIN-3-YL) PENTANEDIOATE

Systematic Name

English

PENTANEDIOIC ACID, MONO(2-(4-CHLOROPHENYL)-8-METHYL-6-PHENYL-6H-PYRAZOLO(3,4-B)THIENO(2,3-D)PYRIDIN-3-YL) ESTER

Systematic Name

English

PENTANEDIOIC ACID, 1-(2-(4-CHLOROPHENYL)-8-METHYL-6-PHENYL-6H-PYRAZOLO(3,4-B)THIENO(2,3-D)PYRIDIN-3-YL) ESTER

Systematic Name

English

Code System Code Type Description

CAS

412350-36-8

Created by admin on Mon Mar 31 23:42:57 GMT 2025 , Edited by admin on Mon Mar 31 23:42:57 GMT 2025

PRIMARY

PUBCHEM

9935967

Created by admin on Mon Mar 31 23:42:57 GMT 2025 , Edited by admin on Mon Mar 31 23:42:57 GMT 2025

PRIMARY

FDA UNII

63KV6HN9QX

Created by admin on Mon Mar 31 23:42:57 GMT 2025 , Edited by admin on Mon Mar 31 23:42:57 GMT 2025

PRIMARY

Related Record Type Details


					63KV6HN9QX

5-((4-(4-CHLOROPHENYL)-12-METHYL-10-PHENYL-3-THIA-8,10,11-TRIAZATRICYCLO(7.3.0.0(2,6))DODECA-1(9),2(6),4,7,11-PENTAEN-5-YL)OXY)-5-OXOPENTANOIC ACID

ACTIVE MOIETY