OP-1118

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H68Cl2O17
Molecular Weight	987.949
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]4(O[C@@H]1[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@H]2O[C@@H](C)[C@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@@H](O)[C@H]2OC)\C(=O)O[C@@H](C\C=C(C)\C=C1/C)[C@@H](C)O)OC(C)(C)[C@@H](O)[C@H](O)[C@@H]4O

InChI

InChIKey=MWZWKUKATWMWGS-FXYIDGSOSA-N

InChI=1S/C48H68Cl2O17/c1-11-27-20-23(4)30(52)16-14-13-15-28(21-62-47-42(61-10)39(57)41(26(7)63-47)65-45(60)32-29(12-2)33(49)36(54)34(50)35(32)53)44(59)64-31(25(6)51)18-17-22(3)19-24(5)40(27)66-46-38(56)37(55)43(58)48(8,9)67-46/h13-15,17,19-20,25-27,30-31,37-43,46-47,51-58H,11-12,16,18,21H2,1-10H3/b14-13+,22-17+,23-20+,24-19+,28-15+/t25-,26+,27+,30+,31+,37-,38+,39-,40+,41+,42-,43+,46-,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H68Cl2O17
Molecular Weight	987.949
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:30:59 UTC 2023` Edited by `admin` on `Sat Dec 16 13:30:59 UTC 2023`
Record UNII	J4D0XQ65KI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OP-1118

Code

English

(3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-(((6-DEOXY-4-O-(3,5-DICHLORO-2-ETHYL-4,6-DIHYDROXYBENZOYL)-2-O-METHYL-.BETA.-L-MANNOPYRANOSYL)OXY)METHYL)-12-((6-DEOXY-5-C-METHYL-.BETA.-D-LYXO-HEXOPYRANOSYL)OXY)-11-ETHYL-8-HYDROXY-18-((1R)-1-HYDROXYETHYL)-9,13,15-TRI

Systematic Name

English

OPT-1118

Code

English

Code System Code Type Description

CAS

1030825-28-5

Created by admin on Sat Dec 16 13:31:00 UTC 2023 , Edited by admin on Sat Dec 16 13:31:00 UTC 2023

PRIMARY

FDA UNII

J4D0XQ65KI

Created by admin on Sat Dec 16 13:31:00 UTC 2023 , Edited by admin on Sat Dec 16 13:31:00 UTC 2023

PRIMARY

PUBCHEM

135390998

Created by admin on Sat Dec 16 13:31:00 UTC 2023 , Edited by admin on Sat Dec 16 13:31:00 UTC 2023

PRIMARY

Related Record Type Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					J4D0XQ65KI

OP-1118

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:

Related Record Type Details


					Z5N076G8YQ

FIDAXOMICIN

PARENT -> METABOLITE ACTIVE


					Z5N076G8YQ

FIDAXOMICIN

PARENT -> METABOLITE LESS ACTIVE

Qualification:

IC50

Amount:

Name	Property Type	Parameters
Tmax	PHARMACOKINETIC	SINGLE DOSE

Biological Half-life	PHARMACOKINETIC	SINGLE DOSE