MYTHYLSULFONYLCARBAMAZEPINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20N2O8
Molecular Weight	428.3921
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MYTHYLSULFONYLCARBAMAZEPINE

Structure Search

SMILES

O[C@H]1[C@H](NC(=O)N2C3=C(C=CC=C3)[C@H]4O[C@H]4C5=C2C=CC=C5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=MSRCBOXNFCXEAO-AFRUPAAZSA-N

InChI=1S/C21H20N2O8/c24-13-14(25)18(20(27)28)31-19(15(13)26)22-21(29)23-11-7-3-1-5-9(11)16-17(30-16)10-6-2-4-8-12(10)23/h1-8,13-19,24-26H,(H,22,29)(H,27,28)/t13-,14-,15+,16-,17+,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20N2O8
Molecular Weight	428.3921
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:43:40 UTC 2023` Edited by `admin` on `Sat Dec 16 14:43:40 UTC 2023`
Record UNII	8VE3ZG5JUH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYTHYLSULFONYLCARBAMAZEPINE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(((1A,10B-DIHYDRO-6H-DIBENZ(B,F)OXIRENO(D)AZEPIN-6-YL)CARBONYL)AMINO)-

Systematic Name

English

1-DEOXY-1-(((1A,10B-DIHYDRO-6H-DIBENZ(B,F)OXIRENO(D)AZEPIN-6-YL)CARBONYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613877

Created by admin on Sat Dec 16 14:43:40 UTC 2023 , Edited by admin on Sat Dec 16 14:43:40 UTC 2023

PRIMARY

CAS

176546-88-6

Created by admin on Sat Dec 16 14:43:40 UTC 2023 , Edited by admin on Sat Dec 16 14:43:40 UTC 2023

PRIMARY

FDA UNII

8VE3ZG5JUH

Created by admin on Sat Dec 16 14:43:40 UTC 2023 , Edited by admin on Sat Dec 16 14:43:40 UTC 2023

PRIMARY

Related Record Type Details


					33CM23913M

CARBAMAZEPINE

PARENT -> IMPURITY

Interaction Type:

MINOR

Qualification:

URINE