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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H47FN4O.4ClH
Molecular Weight 692.605
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCL-0129 TETRAHYDROCHLORIDE

SMILES

Cl.Cl.Cl.Cl.COC1=CC=C2C=CC=CC2=C1CCCCN3CCN(C[C@@H](N4CCN(CC4)C(C)C)C5=CC=C(F)C=C5)CC3

InChI

InChIKey=VGDBONHXEQIVFN-DRLCBRQYSA-N
InChI=1S/C34H47FN4O.4ClH/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3;;;;/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3;4*1H/t33-;;;;/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 C34H47FN4O
Molecular Weight 546.7616
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 09:29:53 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:53 GMT 2023
Record UNII
V9CQ2FS82P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCL-0129 TETRAHYDROCHLORIDE
Common Name English
PIPERAZINE, 1-((1S)-1-(4-FLUOROPHENYL)-2-(4-(4-(2-METHOXY-1-NAPHTHALENYL)BUTYL)-1-PIPERAZINYL)ETHYL)-4-(1-METHYLETHYL)-, TETRAHYDROCHLORIDE
Systematic Name English
MCL0129 TETRAHYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
6918687
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
FDA UNII
V9CQ2FS82P
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
CAS
574001-66-4
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
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