12-HYDROXY PELIGLITAZAR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H30N2O8
Molecular Weight	546.5678
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
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(OCCC3=C(CO)OC(=N3)C4=CC=CC=C4)C=C2)C=C1

InChI

InChIKey=XJGZYXFVUXQPSR-FQEVSTJZSA-N

InChI=1S/C30H30N2O8/c1-20(32(18-28(34)35)30(36)39-25-14-12-23(37-2)13-15-25)21-8-10-24(11-9-21)38-17-16-26-27(19-33)40-29(31-26)22-6-4-3-5-7-22/h3-15,20,33H,16-19H2,1-2H3,(H,34,35)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H30N2O8
Molecular Weight	546.5678
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:07:20 GMT 2023` Edited by `admin` on `Sat Dec 16 16:07:20 GMT 2023`
Record UNII	ACS86ZM1CQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12-HYDROXY PELIGLITAZAR

Common Name

English

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

Systematic Name

English

PELIGLITAZAR METABOLITE M4

Common Name

English

Code System Code Type Description

PUBCHEM

118753087

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

PRIMARY

CAS

1807606-88-7

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

PRIMARY

FDA UNII

ACS86ZM1CQ

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

PRIMARY

Related Record Type Details


					D26ZN076H1

PELIGLITAZAR

PARENT -> METABOLITE

Interaction Type:

TRACE

Qualification:

URINE

Amount:


					D26ZN076H1

PELIGLITAZAR

PARENT -> METABOLITE

Comments:

6.66% of dose in group 1 and 2.15% of the dose in group 2

Qualification:

FECAL

Amount: