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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO9
Molecular Weight 513.5363
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALMEFENE 3-GLUCURONIDE

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)C=CC2=C)=CC=C3O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=WVNOWMNWGLCPBW-UEDZHUOVSA-N
InChI=1S/C27H31NO9/c1-12-6-7-27(34)16-10-14-4-5-15(35-25-20(31)18(29)19(30)22(37-25)24(32)33)21-17(14)26(27,23(12)36-21)8-9-28(16)11-13-2-3-13/h4-7,13,16,18-20,22-23,25,29-31,34H,1-3,8-11H2,(H,32,33)/t16-,18+,19+,20-,22+,23+,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H31NO9
Molecular Weight 513.5363
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:09 GMT 2023
Record UNII
NLD8Y0H9J0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALMEFENE 3-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.)-17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-14-HYDROXY-6-METHYLENEMORPHINAN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
NLD8Y0H9J0
Created by admin on Fri Dec 15 15:52:09 GMT 2023 , Edited by admin on Fri Dec 15 15:52:09 GMT 2023
PRIMARY
EVMPD
SUB197219
Created by admin on Fri Dec 15 15:52:09 GMT 2023 , Edited by admin on Fri Dec 15 15:52:09 GMT 2023
PRIMARY
SMS_ID
100000182952
Created by admin on Fri Dec 15 15:52:09 GMT 2023 , Edited by admin on Fri Dec 15 15:52:09 GMT 2023
PRIMARY
PUBCHEM
122173988
Created by admin on Fri Dec 15 15:52:09 GMT 2023 , Edited by admin on Fri Dec 15 15:52:09 GMT 2023
PRIMARY
CAS
113346-47-7
Created by admin on Fri Dec 15 15:52:09 GMT 2023 , Edited by admin on Fri Dec 15 15:52:09 GMT 2023
PRIMARY
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