ISOACITRETIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26O3
Molecular Weight	326.4293
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C(C)=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)=C1

InChI

InChIKey=IHUNBGSDBOWDMA-UGOGCBOOSA-N

InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-

HIDE SMILES / InChI

Molecular Formula	C21H26O3
Molecular Weight	326.4293
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:50:05 UTC 2023` Edited by `admin` on `Sat Dec 16 10:50:05 UTC 2023`
Record UNII	BK59Y5A02O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOACITRETIN

Common Name

English

RO-13-7652

Code

English

ACITRETIN RELATED COMPOUND A [USP-RS]

Common Name

English

ISOETRETIN

Common Name

English

ACITRETIN IMPURITY A [EP IMPURITY]

Common Name

English

13-CIS-ACITRETIN

Common Name

English

13-CIS-ETRETIN

Common Name

English

ACITRETIN RELATED COMPOUND A [USP IMPURITY]

Common Name

English

2,4,6,8-NONATETRAENOIC ACID, 9-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3,7-DIMETHYL-, (2Z,4E,6E,8E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BK59Y5A02O

Created by admin on Sat Dec 16 10:50:05 UTC 2023 , Edited by admin on Sat Dec 16 10:50:05 UTC 2023

PRIMARY

RS_ITEM_NUM

1011018

Created by admin on Sat Dec 16 10:50:05 UTC 2023 , Edited by admin on Sat Dec 16 10:50:05 UTC 2023

PRIMARY

PUBCHEM

6437841

Created by admin on Sat Dec 16 10:50:05 UTC 2023 , Edited by admin on Sat Dec 16 10:50:05 UTC 2023

PRIMARY

CAS

69427-46-9

Created by admin on Sat Dec 16 10:50:05 UTC 2023 , Edited by admin on Sat Dec 16 10:50:05 UTC 2023

PRIMARY

Related Record Type Details


					LCH760E9T7

ACITRETIN

PARENT -> METABOLITE

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					LCH760E9T7

ACITRETIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					LCH760E9T7

ACITRETIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC