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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H45N5O3.2ClH
Molecular Weight 632.664
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANEPITANT DIHYDROCHLORIDE

SMILES

Cl.Cl.COC1=C(CN(C[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)CN4CCC(CC4)N5CCCCC5)C(C)=O)C=CC=C1

InChI

InChIKey=WURFRVBOVGQPHZ-QDSLRZTOSA-N
InChI=1S/C33H45N5O3.2ClH/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37;;/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40);2*1H/t28-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C33H45N5O3
Molecular Weight 559.7421
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:58:09 UTC 2023
Edited
by admin
on Sat Dec 16 13:58:09 UTC 2023
Record UNII
F8QKY5B9EY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LANEPITANT DIHYDROCHLORIDE
Common Name English
LY-303870 DIHYDROCHLORIDE
Code English
(1,4'-BIPIPERIDINE)-1'-ACETAMIDE, N-(2-(ACETYL((2-METHOXYPHENYL)METHYL)AMINO)-1-(1H-INDOL-3-YLMETHYL)ETHYL)-, DIHYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
F8QKY5B9EY
Created by admin on Sat Dec 16 13:58:09 UTC 2023 , Edited by admin on Sat Dec 16 13:58:09 UTC 2023
PRIMARY
CAS
170508-05-1
Created by admin on Sat Dec 16 13:58:09 UTC 2023 , Edited by admin on Sat Dec 16 13:58:09 UTC 2023
PRIMARY
PUBCHEM
70198635
Created by admin on Sat Dec 16 13:58:09 UTC 2023 , Edited by admin on Sat Dec 16 13:58:09 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE