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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33N5O5
Molecular Weight 519.5921
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'.BETA.-ISOPROPYLERGOPEPTINE

SMILES

CC(C)[C@@]5(NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)C2=C1)O[C@@]6(O)[C@@H]7CCCN7C(=O)CN6C5=O

InChI

InChIKey=XLMJRFCCCWFQRE-SJRQCXNHSA-N
InChI=1S/C28H33N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)13-17/h4,6-7,10,12,15,17,21-22,29,37H,5,8-9,11,13-14H2,1-3H3,(H,30,35)/t17-,21-,22+,27-,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-, (5'.ALPHA.)-
Preferred Name English
2'.BETA.-ISOPROPYLERGOPEPTINE
Common Name English
Code System Code Type Description
FDA UNII
13GR36R05G
Created by admin on Wed Apr 02 11:38:22 GMT 2025 , Edited by admin on Wed Apr 02 11:38:22 GMT 2025
PRIMARY
CAS
59630-30-7
Created by admin on Wed Apr 02 11:38:22 GMT 2025 , Edited by admin on Wed Apr 02 11:38:22 GMT 2025
PRIMARY
PUBCHEM
3084035
Created by admin on Wed Apr 02 11:38:22 GMT 2025 , Edited by admin on Wed Apr 02 11:38:22 GMT 2025
PRIMARY