U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N2O3
Molecular Weight 367.4614
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of MACUSINE C

SMILES

[H][C@@]12CC3=C(NC4=C3C=CC=C4)[C@@H]5C[C@@H](\C(C[N@+]15C)=C/C)[C@]2(CO)C(=O)OC

InChI

InChIKey=HOIYLJHQHXMJGO-BMXKQLBQSA-N
InChI=1S/C22H27N2O3/c1-4-13-11-24(2)18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23-20(15)18/h4-8,16,18-19,23,25H,9-12H2,1-3H3/q+1/b13-4-/t16-,18-,19-,22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26N2O3
Molecular Weight 366.4534
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:27 GMT 2023
Record UNII
ER8B029ZA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MACUSINE C
MI  
Common Name English
MACUSINE C [MI]
Common Name English
N(4)-METHYLAKUAMMIDINE
Common Name English
MACUSINE C CATION
Common Name English
SARPAGANIUM, 17-HYDROXY-16-(METHOXYCARBONYL)-4-METHYL-
Common Name English
NB-METHYLAKUAMMIDINE
Common Name English
MACUSINE C ION
Common Name English
Code System Code Type Description
FDA UNII
ER8B029ZA8
Created by admin on Sat Dec 16 09:13:27 GMT 2023 , Edited by admin on Sat Dec 16 09:13:27 GMT 2023
PRIMARY
CAS
6801-17-8
Created by admin on Sat Dec 16 09:13:27 GMT 2023 , Edited by admin on Sat Dec 16 09:13:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID20410581
Created by admin on Sat Dec 16 09:13:27 GMT 2023 , Edited by admin on Sat Dec 16 09:13:27 GMT 2023
PRIMARY
MERCK INDEX
m288
Created by admin on Sat Dec 16 09:13:27 GMT 2023 , Edited by admin on Sat Dec 16 09:13:27 GMT 2023
PRIMARY Merck Index
PUBCHEM
91618004
Created by admin on Sat Dec 16 09:13:27 GMT 2023 , Edited by admin on Sat Dec 16 09:13:27 GMT 2023
PRIMARY