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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H34N6O4
Molecular Weight 578.6609
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of C-82

SMILES

[H][C@]12[C@H](C)N(CC3=C4N=CC=CC4=CC=C3)C(=O)[C@H](CC5=CC=C(O)C=C5)N1C(=O)CN(C)N2C(=O)NCC6=CC=CC=C6

InChI

InChIKey=KLGHKOORFHZFGO-AZXNYEMZSA-N
InChI=1S/C33H34N6O4/c1-22-31-38(29(41)21-36(2)39(31)33(43)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(40)16-14-23)32(42)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31,40H,18-21H2,1-2H3,(H,35,43)/t22-,28-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H34N6O4
Molecular Weight 578.6609
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:49:13 UTC 2023
Edited
by admin
on Sat Dec 16 08:49:13 UTC 2023
Record UNII
D33SM48G6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
C-82
Code English
2H-PYRAZINO(2,1-C)(1,2,4)TRIAZINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-((4-HYDROXYPHENYL)METHYL)-2,9-DIMETHYL-4,7-DIOXO-N-(PHENYLMETHYL)-8-(8-QUINOLINYLMETHYL)-, (6S,9S,9AS)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000041446
Created by admin on Sat Dec 16 08:49:13 UTC 2023 , Edited by admin on Sat Dec 16 08:49:13 UTC 2023
PRIMARY
CAS
1422253-37-9
Created by admin on Sat Dec 16 08:49:13 UTC 2023 , Edited by admin on Sat Dec 16 08:49:13 UTC 2023
PRIMARY
FDA UNII
D33SM48G6V
Created by admin on Sat Dec 16 08:49:13 UTC 2023 , Edited by admin on Sat Dec 16 08:49:13 UTC 2023
PRIMARY
PUBCHEM
73602848
Created by admin on Sat Dec 16 08:49:13 UTC 2023 , Edited by admin on Sat Dec 16 08:49:13 UTC 2023
PRIMARY
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