TAURURSODIOL DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO6S.2H2O
Molecular Weight	535.734
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O

InChI

InChIKey=BNXLUNVCHFIPFY-GUBAPICVSA-N

InChI=1S/C26H45NO6S.2H2O/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);2*1H2/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C26H45NO6S
Molecular Weight	499.704
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:44:43 UTC 2023` Edited by `admin` on `Sat Dec 16 13:44:43 UTC 2023`
Record UNII	U7XRV7RZ1I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAURURSODIOL DIHYDRATE

Common Name

English

URSODOXICOLTAURINE DIHYDRATE

Common Name

English

ALBRIOZA component TAUROURSODEOXYCHOLIC ACID DIHYDRATE

Common Name

English

AMX-0035 COMPONENT TAUROURSODEOXYCHOLIC ACID DIHYDRATE

Code

English

TAUROURSODEOXYCHOLIC ACID DIHYDRATE

Common Name

English

RELYVRIO COMPONENT TAURURSODIOL DIHYDRATE

Brand Name

English

ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.BETA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, HYDRATE (1:2)

Systematic Name

English

AMX0035 COMPONENT TAUROURSODEOXYCHOLIC ACID DIHYDRATE

Code

English

TAURURSODIOL DIHYDRATE COMPONENT OF RELYVRIO

Brand Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

588117