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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H60N4O6.ClH
Molecular Weight 669.335
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-62198A MONOHYDROCHLORIDE

SMILES

Cl.COCCCCOC1=CC=CC=C1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCC(CC2)C(C)=O)C(C)C

InChI

InChIKey=DPRFBRMNYWXXDQ-IPCZTWCTSA-N
InChI=1S/C35H60N4O6.ClH/c1-24(2)28(23-38-34(42)29-11-7-8-12-33(29)45-20-10-9-19-44-6)21-31(36)32(41)22-30(25(3)4)35(43)37-15-18-39-16-13-27(14-17-39)26(5)40;/h7-8,11-12,24-25,27-28,30-32,41H,9-10,13-23,36H2,1-6H3,(H,37,43)(H,38,42);1H/t28-,30+,31+,32+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C35H60N4O6
Molecular Weight 632.8741
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:41:14 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:14 GMT 2023
Record UNII
2ZGD0BKP7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-62198A MONOHYDROCHLORIDE
Common Name English
BENZAMIDE, N-((2S,4S,5S,7S)-7-(((2-(4-ACETYL-1-PIPERIDINYL)ETHYL)AMINO)CARBONYL)-4-AMINO-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-(4-METHOXYBUTOXY)-, MONOHYDROCHLORIDE
Systematic Name English
BENZAMIDE, N-(7-(((2-(4-ACETYL-1-PIPERIDINYL)ETHYL)AMINO)CARBONYL)-4-AMINO-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-(4-METHOXYBUTOXY)-, MONOHYDROCHLORIDE, (2S-(2R*,4R*,5R*,7R*))-
Systematic Name English
Code System Code Type Description
CAS
179995-88-1
Created by admin on Sat Dec 16 09:41:14 GMT 2023 , Edited by admin on Sat Dec 16 09:41:14 GMT 2023
PRIMARY
FDA UNII
2ZGD0BKP7L
Created by admin on Sat Dec 16 09:41:14 GMT 2023 , Edited by admin on Sat Dec 16 09:41:14 GMT 2023
PRIMARY
PUBCHEM
69646428
Created by admin on Sat Dec 16 09:41:14 GMT 2023 , Edited by admin on Sat Dec 16 09:41:14 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY