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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32ClN3O4
Molecular Weight 425.949
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REVEXEPRIDE

SMILES

COCCCN1CC[C@@H](CNC(=O)C2=C3OC(C)(C)CC3=C(N)C(Cl)=C2)[C@H](O)C1

InChI

InChIKey=FOUUNSGQVBGYQM-SUMWQHHRSA-N
InChI=1S/C21H32ClN3O4/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27)/t13-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32ClN3O4
Molecular Weight 425.949
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 05:32:50 UTC 2023
Edited
by admin
on Sat Dec 16 05:32:50 UTC 2023
Record UNII
8C63R2Y02M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REVEXEPRIDE
INN  
INN  
Official Name English
revexepride [INN]
Common Name English
7-BENZOFURANCARBOXAMIDE, 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-(((3S,4S)-3-HYDROXY-1-(3-METHOXYPROPYL)-4-PIPERIDINYL)METHYL)-2,2-DIMETHYL-
Systematic Name English
4-AMINO-5-CHLORO-N-(((3S,4S)-3-HYDROXY-1-(3-METHOXYPROPYL)PIPERIDIN-4-YL)METHYL(-2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-CARBOXAMIDE
Common Name English
7-BENZOFURANCARBOXAMIDE, 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-(((3R,4R)-3-HYDROXY-1-(3-METHOXYPROPYL)-4-PIPERIDINYL)METHYL)-2,2-DIMETHYL-
Systematic Name English
R149402
Code English
(-)-REVEXEPRIDE
Common Name English
SPD-557
Code English
R-149402
Code English
Classification Tree Code System Code
NCI_THESAURUS C47794
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
Code System Code Type Description
FDA UNII
8C63R2Y02M
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
PUBCHEM
9823762
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
CAS
219984-49-3
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
SMS_ID
100000180083
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
INN
9617
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545035
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID30176429
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
NCI_THESAURUS
C152202
Created by admin on Sat Dec 16 05:32:50 UTC 2023 , Edited by admin on Sat Dec 16 05:32:50 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY