U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N2O9
Molecular Weight 466.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILNACIPRAN CARBAMOYL O-GLUCURONIDE, D-

SMILES

CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CC=C3

InChI

InChIKey=CJQUAXXSVBPRHH-BHNQXGFYSA-N
InChI=1S/C22H30N2O9/c1-3-24(4-2)20(30)22(12-8-6-5-7-9-12)10-13(22)11-23-21(31)33-19-16(27)14(25)15(26)17(32-19)18(28)29/h5-9,13-17,19,25-27H,3-4,10-11H2,1-2H3,(H,23,31)(H,28,29)/t13-,14+,15+,16-,17+,19+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30N2O9
Molecular Weight 466.4816
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:39:46 UTC 2023
Edited
by admin
on Sat Dec 16 09:39:46 UTC 2023
Record UNII
9TK9IO76V9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILNACIPRAN CARBAMOYL O-GLUCURONIDE, D-
Common Name English
DEXTROMILNACIPRAN CARBAMOYL O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(N-(((1S,2R)-2-((DIETHYLAMINO)CARBONYL)-2-PHENYLCYCLOPROPYL)METHYL)CARBAMATE)
Systematic Name English
Code System Code Type Description
CAS
1446438-97-6
Created by admin on Sat Dec 16 09:39:46 UTC 2023 , Edited by admin on Sat Dec 16 09:39:46 UTC 2023
PRIMARY
FDA UNII
9TK9IO76V9
Created by admin on Sat Dec 16 09:39:46 UTC 2023 , Edited by admin on Sat Dec 16 09:39:46 UTC 2023
PRIMARY
PUBCHEM
71750742
Created by admin on Sat Dec 16 09:39:46 UTC 2023 , Edited by admin on Sat Dec 16 09:39:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE
PARENT -> METABOLITE