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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24N4O3
Molecular Weight 440.4938
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-Didesmethyl ruboxistaurin

SMILES

NC[C@@H]1CCN2C=C(C3=C2C=CC=C3)C4=C(C(=O)NC4=O)C5=CN(CCO1)C6=C5C=CC=C6

InChI

InChIKey=JPLUPRIZLHXUPQ-INIZCTEOSA-N
InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24N4O3
Molecular Weight 440.4938
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 Wed Apr 02 07:55:30 GMT 2025
Edited
by admin
on Wed Apr 02 07:55:30 GMT 2025
Record UNII
BDQ2MB2BC2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-Didesmethyl ruboxistaurin
Common Name English
RUBOXISTAURIN METABOLITE 2
Preferred Name English
(9S)-9-(Aminomethyl)-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione
Systematic Name English
9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9-(aminomethyl)-6,7,10,11-tetrahydro-, (9S)-
Systematic Name English
Code System Code Type Description
CAS
695812-68-1
Created by admin on Wed Apr 02 07:55:30 GMT 2025 , Edited by admin on Wed Apr 02 07:55:30 GMT 2025
PRIMARY
FDA UNII
BDQ2MB2BC2
Created by admin on Wed Apr 02 07:55:30 GMT 2025 , Edited by admin on Wed Apr 02 07:55:30 GMT 2025
PRIMARY
PUBCHEM
10527068
Created by admin on Wed Apr 02 07:55:30 GMT 2025 , Edited by admin on Wed Apr 02 07:55:30 GMT 2025
PRIMARY
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