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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO7
Molecular Weight 397.4634
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-9-AMINOMINOCYCLINE, (4R)-

SMILES

CC[C@]([H])([C@@]([H])(C)CN(C)C)c1cccc(c1)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O

InChI

InChIKey=CTYJDHSTNLOUMT-PJOQTPGLSA-N
InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H31NO7
Molecular Weight 397.4634
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 Jun 26 14:43:49 UTC 2021
Edited
by admin
on Sat Jun 26 14:43:49 UTC 2021
Record UNII
40KZS36JSZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-9-AMINOMINOCYCLINE, (4R)-
Common Name English
TAPENTADOL-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-((1R,2R)-3-(DIMETHYLAMINO)-1-ETHYL-2-METHYLPROPYL)PHENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
1300037-86-8
Created by admin on Sat Jun 26 14:43:49 UTC 2021 , Edited by admin on Sat Jun 26 14:43:49 UTC 2021
PRIMARY
CAS
1300037-86-8
Created by admin on Sat Jun 26 14:43:49 UTC 2021 , Edited by admin on Sat Jun 26 14:43:49 UTC 2021
PRIMARY
PUBCHEM
71752323
Created by admin on Sat Jun 26 14:43:49 UTC 2021 , Edited by admin on Sat Jun 26 14:43:49 UTC 2021
PRIMARY
FDA UNII
40KZS36JSZ
Created by admin on Sat Jun 26 14:43:49 UTC 2021 , Edited by admin on Sat Jun 26 14:43:49 UTC 2021
PRIMARY
Related Record Type Details
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