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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H37N5O3
Molecular Weight 503.6358
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XL-888

SMILES

CC[C@@H](C)NC1=C(C=C(C)C(=C1)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C4=CC=C(C=N4)C(=O)C5CC5)C(N)=O

InChI

InChIKey=LHGWWAFKVCIILM-HLRQEUIKSA-N
InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H37N5O3
Molecular Weight 503.6358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:38:10 UTC 2023
Edited
by admin
on Sat Dec 16 01:38:10 UTC 2023
Record UNII
7M346920EV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XL-888
Common Name English
5-((R)-SEC-BUTYLAMINO)-N1-((1R,3S,5S)-8-(5-(CYCLOPROPANECARBONYL)PYRIDIN-2-YL)-8-AZABICYCLO(3.2.1)OCTAN-3-YL)-2-METHYLTEREPHTHALAMIDE
Common Name English
EXEL-4888
Common Name English
1,4-BENZENEDICARBOXAMIDE, N1-((3-ENDO)-8-(5-(CYCLOPROPYLCARBONYL)-2-PYRIDINYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-2-METHYL-5-(((1R)-1-METHYLPROPYL)AMINO)-
Common Name English
XL888
Common Name English
Code System Code Type Description
FDA UNII
7M346920EV
Created by admin on Sat Dec 16 01:38:10 UTC 2023 , Edited by admin on Sat Dec 16 01:38:10 UTC 2023
PRIMARY
CAS
1149705-71-4
Created by admin on Sat Dec 16 01:38:10 UTC 2023 , Edited by admin on Sat Dec 16 01:38:10 UTC 2023
PRIMARY
NCI_THESAURUS
C79835
Created by admin on Sat Dec 16 01:38:10 UTC 2023 , Edited by admin on Sat Dec 16 01:38:10 UTC 2023
PRIMARY
DRUG BANK
DB12981
Created by admin on Sat Dec 16 01:38:10 UTC 2023 , Edited by admin on Sat Dec 16 01:38:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID101025690
Created by admin on Sat Dec 16 01:38:10 UTC 2023 , Edited by admin on Sat Dec 16 01:38:10 UTC 2023
PRIMARY
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