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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H28N4O4
Molecular Weight 484.5463
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (9S)-9-((DIMETHYLAMINO)METHYL)-6,7,10,11-TETRAHYDRO-3-HYDROXY-9H,18H-5,21:12,17-DIMETHENODIBENZO(E,K)PYRROLO(3,4-H)(1,4,13)OXADIAZACYCLOHEXADECINE-18,20(19H)-DIONE

SMILES

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

InChI

InChIKey=OVDQSNZHMZHWOD-SFHVURJKSA-N
InChI=1S/C28H28N4O4/c1-30(2)14-18-9-10-31-15-21(19-5-3-4-6-23(19)31)25-26(28(35)29-27(25)34)22-16-32(11-12-36-18)24-13-17(33)7-8-20(22)24/h3-8,13,15-16,18,33H,9-12,14H2,1-2H3,(H,29,34,35)/t18-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(9S)-9-((DIMETHYLAMINO)METHYL)-6,7,10,11-TETRAHYDRO-3-HYDROXY-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-((DIMETHYLAMINO)METHYL)-6,7,10,11-TETRAHYDRO-3-HYDROXY-, (9S)-
Systematic Name English
RUBOXISTAURIN METABOLITE 3
Common Name English
Code System Code Type Description
FDA UNII
A70MDI2OTH
Created by admin on Sat Dec 16 16:31:36 GMT 2023 , Edited by admin on Sat Dec 16 16:31:36 GMT 2023
PRIMARY
PUBCHEM
146675100
Created by admin on Sat Dec 16 16:31:36 GMT 2023 , Edited by admin on Sat Dec 16 16:31:36 GMT 2023
PRIMARY
CAS
875328-55-5
Created by admin on Sat Dec 16 16:31:36 GMT 2023 , Edited by admin on Sat Dec 16 16:31:36 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of RUBOXISTAURIN
NIH
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