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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O8
Molecular Weight 474.5434
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORETHINDRONE GLUCURONIDE

SMILES

[H][C@@]12CC[C@@](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)(C#C)[C@@]1(C)CC[C@]4([H])[C@@]5([H])CCC(=O)C=C5CC[C@@]24[H]

InChI

InChIKey=CQOHDQNOAACQBL-GBJMIENCSA-N
InChI=1S/C26H34O8/c1-3-26(34-24-21(30)19(28)20(29)22(33-24)23(31)32)11-9-18-17-6-4-13-12-14(27)5-7-15(13)16(17)8-10-25(18,26)2/h1,12,15-22,24,28-30H,4-11H2,2H3,(H,31,32)/t15-,16+,17+,18-,19-,20-,21+,22-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34O8
Molecular Weight 474.5434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:21:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:21:50 GMT 2023
Record UNII
XM65UQA5TM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORETHINDRONE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (17.ALPHA.)-3-OXO-19-NORPREGN-4-EN-20-YN-17-YL
Common Name English
GLUCOSIDURONIC ACID, 3-OXO-19-NOR-17.ALPHA.-PREGN-4-EN-20-YN-17-YL
Common Name English
Code System Code Type Description
CAS
64701-11-7
Created by admin on Sat Dec 16 09:21:51 GMT 2023 , Edited by admin on Sat Dec 16 09:21:51 GMT 2023
PRIMARY
FDA UNII
XM65UQA5TM
Created by admin on Sat Dec 16 09:21:51 GMT 2023 , Edited by admin on Sat Dec 16 09:21:51 GMT 2023
PRIMARY
PUBCHEM
131882734
Created by admin on Sat Dec 16 09:21:51 GMT 2023 , Edited by admin on Sat Dec 16 09:21:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
unit: ng/mL; 25mg single oral administration; blood sampled after 3hr
IN-VIVO
PLASMA