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Details

Stereochemistry RACEMIC
Molecular Formula C22H31NO3
Molecular Weight 357.4864
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RCC-36 FREE BASE

SMILES

CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=BWTHWMSRTKTAFC-UHFFFAOYSA-N
InChI=1S/C22H31NO3/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C22H31NO3
Molecular Weight 357.4864
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:54:25 GMT 2023
Edited
by admin
on Sat Dec 16 04:54:25 GMT 2023
Record UNII
3FR9R1IKCO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RCC-36 FREE BASE
Code English
(±)-4-ETHYLAMINO-1,1-DIMETHYLBUT-2-YN-1-YL 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETATE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 4-(ETHYLAMINO)-1,1-DIMETHYL-2-BUTYN-1-YL ESTER
Common Name English
Code System Code Type Description
CAS
146205-91-6
Created by admin on Sat Dec 16 04:54:25 GMT 2023 , Edited by admin on Sat Dec 16 04:54:25 GMT 2023
PRIMARY
PUBCHEM
154340
Created by admin on Sat Dec 16 04:54:25 GMT 2023 , Edited by admin on Sat Dec 16 04:54:25 GMT 2023
PRIMARY
FDA UNII
3FR9R1IKCO
Created by admin on Sat Dec 16 04:54:25 GMT 2023 , Edited by admin on Sat Dec 16 04:54:25 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE