DECHLOROGRISEOFULVIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18O6
Molecular Weight	318.3212
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC)=C2C(=O)[C@]3(OC2=C1)[C@H](C)CC(=O)C=C3OC

InChI

InChIKey=QPCYNIYZPDJCMB-XLFHBGCDSA-N

InChI=1S/C17H18O6/c1-9-5-10(18)6-14(22-4)17(9)16(19)15-12(21-3)7-11(20-2)8-13(15)23-17/h6-9H,5H2,1-4H3/t9-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H18O6
Molecular Weight	318.3212
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Human immunodeficiency virus 1 33 Target ID: CHEMBL378 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28117586	Inhibitor 8297		89.7 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:38:18 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:18 GMT 2023`
Record UNII	ER776J3MGD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DECHLOROGRISEOFULVIN

Common Name

English

(1'S,6'R)-2',4,6-TRIMETHOXY-6'-METHYLSPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE

Systematic Name

English

SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 2',4,6-TRIMETHOXY-6'-METHYL-, (1'S,6'R)-

Systematic Name

English

GRISEOFULVIN IMPURITY B [EP IMPURITY]

Common Name

English

7-DECHLOROGRISEOFULVIN

Common Name

English

Code System Code Type Description

PUBCHEM

24066885

Created by admin on Sat Dec 16 08:38:19 GMT 2023 , Edited by admin on Sat Dec 16 08:38:19 GMT 2023

PRIMARY

EPA CompTox

DTXSID80958015

Created by admin on Sat Dec 16 08:38:19 GMT 2023 , Edited by admin on Sat Dec 16 08:38:19 GMT 2023

PRIMARY

FDA UNII

ER776J3MGD

Created by admin on Sat Dec 16 08:38:19 GMT 2023 , Edited by admin on Sat Dec 16 08:38:19 GMT 2023

PRIMARY

CAS

3680-32-8

Created by admin on Sat Dec 16 08:38:19 GMT 2023 , Edited by admin on Sat Dec 16 08:38:19 GMT 2023

PRIMARY

Related Record Type Details


					32HRV3E3D5

GRISEOFULVIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: