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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48N2O6
Molecular Weight 532.7119
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-216546 FREE BASE

SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)C2=CC(OC)=C3OCOC3=C2

InChI

InChIKey=OAEWNSKRLBVVBV-QSEAXJEQSA-N
InChI=1S/C30H48N2O6/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35)/t22-,23+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H48N2O6
Molecular Weight 532.7119
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:34 GMT 2023
Record UNII
PN03VLW8WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-216546 FREE BASE
Common Name English
3-PYRROLIDINECARBOXYLIC ACID, 1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(2,2-DIMETHYLPENTYL)-4-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-, (2S,3R,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9915028
Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023
PRIMARY
FDA UNII
PN03VLW8WV
Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023
PRIMARY
CAS
212481-66-8
Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY