BENDACALOL MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H23NO6.CH4O3S
Molecular Weight	469.505
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@@]1(COC2=CC=CC=C2O1)[C@@H](O)CNC[C@@H](O)[C@]3([H])COC4=C(O3)C=CC=C4

InChI

InChIKey=TWESTNYMJIMXRF-AIMMJYJASA-N

InChI=1S/C20H23NO6.CH4O3S/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20;1-5(2,3)4/h1-8,13-14,19-23H,9-12H2;1H3,(H,2,3,4)/t13-,14+,19+,20-;

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C20H23NO6
Molecular Weight	373.3997
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:00 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:00 UTC 2023`
Record UNII	5KP3ZO1VLL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENDACALOL MESYLATE

Official Name

English

BENDACALOL MESYLATE [USAN]

Common Name

English

1,4-BENZODIOXIN-2-METHANOL, .ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(2,3-DIHYDRO-, (2R*(S*(R*(S*))))-, METHANESULPHONATE (SALT)

Common Name

English

CGS-10078B

Code

English

1,4-BENZODIOXIN-2-METHANOL, .ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(2,3-DIHYDRO-, (2R*(S*(R*(S*))))-, METHANESULFONATE (SALT)

Common Name

English

CGS 10078B

Code

English

BENDACALOL MESILATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C72900