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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43NO2.BrH
Molecular Weight 494.548
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORUBIJERVINE HYDROBROMIDE

SMILES

Br.C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO)[C@@H]13

InChI

InChIKey=UZTOZXMELVQAQG-IKDVFPFSSA-N
InChI=1S/C27H43NO2.BrH/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29;/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3;1H/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C27H43NO2
Molecular Weight 413.6358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:33:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:33:44 GMT 2025
Record UNII
4R60QXK7HW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISORUBIJERVINE HYDROBROMIDE
MI  
Common Name English
ISORUBIJERVINE HYDROBROMIDE [MI]
Preferred Name English
SOLANID-5-ENE-3.BETA.,18-DIOL, HYDROBROMIDE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m787
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY Merck Index
PUBCHEM
90479404
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
CAS
5964-57-8
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
FDA UNII
4R60QXK7HW
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
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