(4Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20O6
Molecular Weight	320.3371
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (4Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(\C)CCC(O)=O

InChI

InChIKey=HPNSFSBZBAHARI-WTKPLQERSA-N

InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4-

HIDE SMILES / InChI

Molecular Formula	C17H20O6
Molecular Weight	320.3371
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical
Record UNII	AHZ9RYL9EW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

Systematic Name

English

MYCOPHENOLATE SODIUM IMPURITY B [EP IMPURITY]

Preferred Name

English

(Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

Systematic Name

English

4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4Z)-

Systematic Name

English

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Code System

Code

Type

Description

CAS

2767988-82-7

PRIMARY

FDA UNII

AHZ9RYL9EW

PRIMARY

PUBCHEM

671222

PRIMARY

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Related Record

Type

Details


					WX877SQI1G

MYCOPHENOLATE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

[<0.1] PERCENT PEAK AREA (limits)

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