BUDIODARONE TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31I2NO5.C4H6O6
Molecular Weight	853.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@H](C)OC(=O)CC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C3=C(O1)C=CC=C3

InChI

InChIKey=CAMFTHAPYYLIIG-YRSVLNEHSA-N

InChI=1S/C27H31I2NO5.C4H6O6/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3;5-1(3(7)8)2(6)4(9)10/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula	C27H31I2NO5
Molecular Weight	703.3477
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:22:23 UTC 2023` Edited by `admin` on `Fri Dec 15 16:22:23 UTC 2023`
Record UNII	3HV5H0W9GM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUDIODARONE TARTRATE

Official Name

English

(1S)-1-Methylpropyl 2-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}benzofuran-2-yl)acetate, hydrogen (2R,3R)-2,3-dihydroxybutanedioate

Common Name

English

ATI-2042 TARTRATE

Code

English

2-BENZOFURANACETIC ACID, 3-(4-(2-(DIETHYLAMINO)ETHOXY)-3,5-DIIODOBENZOYL)-, (1S)-1-METHYLPROPYL ESTER, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)

Common Name

English

BUDIODARONE TARTRATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47793