9-HYDROXY PELIGLITAZAR

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H30N2O8
Molecular Weight	546.5678
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(OC(=O)N(CC(O)=O)[C@@H](C)C2=CC=C(OCC(O)C3=C(C)OC(=N3)C4=CC=CC=C4)C=C2)C=C1

InChI

InChIKey=VGAHUVFSRICZPZ-SXMXNQBWSA-N

InChI=1S/C30H30N2O8/c1-19(32(17-27(34)35)30(36)40-25-15-13-23(37-3)14-16-25)21-9-11-24(12-10-21)38-18-26(33)28-20(2)39-29(31-28)22-7-5-4-6-8-22/h4-16,19,26,33H,17-18H2,1-3H3,(H,34,35)/t19-,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H30N2O8
Molecular Weight	546.5678
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:06 GMT 2023` Edited by `admin` on `Sat Dec 16 16:11:06 GMT 2023`
Record UNII	TN12EC0JIA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-HYDROXY PELIGLITAZAR

Common Name

English

PELIGLITAZAR METABOLITE M6

Common Name

English

GLYCINE, N-((1S)-1-(4-(2-HYDROXY-2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHOXY)PHENYL)ETHYL)-N-((4-METHOXYPHENOXY)CARBONYL)-

Systematic Name

English

Code System Code Type Description

CAS

1807894-85-4

Created by admin on Sat Dec 16 16:11:06 GMT 2023 , Edited by admin on Sat Dec 16 16:11:06 GMT 2023

PRIMARY

FDA UNII

TN12EC0JIA

Created by admin on Sat Dec 16 16:11:06 GMT 2023 , Edited by admin on Sat Dec 16 16:11:06 GMT 2023

PRIMARY

PUBCHEM

118753092

Created by admin on Sat Dec 16 16:11:06 GMT 2023 , Edited by admin on Sat Dec 16 16:11:06 GMT 2023

PRIMARY

Related Record Type Details


					D26ZN076H1

PELIGLITAZAR

PARENT -> METABOLITE

Interaction Type:

TRACE

Qualification:

URINE

Amount:


					D26ZN076H1

PELIGLITAZAR

PARENT -> METABOLITE

Comments:

1.58% of dose in group 1

Qualification:

FECAL

Amount: