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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29N5O2S.ClH
Molecular Weight 512.067
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-71683A

SMILES

Cl.NC1=C2C=CC=CC2=NC(NC[C@H]3CC[C@H](CNS(=O)(=O)C4=C5C=CC=CC5=CC=C4)CC3)=N1

InChI

InChIKey=DIQDKUNCSVFGHH-VPLSKCCHSA-N
InChI=1S/C26H29N5O2S.ClH/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24;/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31);1H/t18-,19-;

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 C26H29N5O2S
Molecular Weight 475.606
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:24:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:24:13 UTC 2023
Record UNII
45B73P82A3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-71683A
Common Name English
1-NAPHTHALENESULFONAMIDE, N-((TRANS-4-(((4-AMINO-2-QUINAZOLINYL)AMINO)METHYL)CYCLOHEXYL)METHYL)-, MONOHYDROCHLORIDE
Systematic Name English
1-NAPHTHALENESULFONAMIDE, N-((TRANS-4-(((4-AMINO-2-QUINAZOLINYL)AMINO)METHYL)CYCLOHEXYL)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
1-NAPHTHALENESULFONAMIDE, N-((4-(((4-AMINO-2-QUINAZOLINYL)AMINO)METHYL)CYCLOHEXYL)METHYL)-, MONOHYDROCHLORIDE, TRANS-
Systematic Name English
Code System Code Type Description
PUBCHEM
9849276
Created by admin on Sat Dec 16 09:24:13 UTC 2023 , Edited by admin on Sat Dec 16 09:24:13 UTC 2023
PRIMARY
CAS
192322-50-2
Created by admin on Sat Dec 16 09:24:13 UTC 2023 , Edited by admin on Sat Dec 16 09:24:13 UTC 2023
PRIMARY
FDA UNII
45B73P82A3
Created by admin on Sat Dec 16 09:24:13 UTC 2023 , Edited by admin on Sat Dec 16 09:24:13 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY