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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43NO7.ClH
Molecular Weight 530.094
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZYGADENINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12C[C@]34O[C@]5(O)[C@@H](O)CC[C@@]3(C)[C@]5([H])CC[C@@]4([H])[C@]1(O)[C@@H](O)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O

InChI

InChIKey=BKEVHPAJZIYAGI-DPPWUGBHSA-N
InChI=1S/C27H43NO7.ClH/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25;/h13-22,29-34H,4-12H2,1-3H3;1H/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C27H43NO7
Molecular Weight 493.6328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:28:31 GMT 2023
Edited
by admin
on Sat Dec 16 00:28:31 GMT 2023
Record UNII
L2FPZ78229
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZYGADENINE HYDROCHLORIDE
MI  
Common Name English
ZYGADENINE HYDROCHLORIDE [MI]
Common Name English
CEVANE-3,4,14,15,16,20-HEXOL, 4,9-EPOXY-, HYDROCHLORIDE, (3.BETA.,4.ALPHA.,15.ALPHA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
6044-07-1
Created by admin on Sat Dec 16 00:28:31 GMT 2023 , Edited by admin on Sat Dec 16 00:28:31 GMT 2023
PRIMARY
FDA UNII
L2FPZ78229
Created by admin on Sat Dec 16 00:28:31 GMT 2023 , Edited by admin on Sat Dec 16 00:28:31 GMT 2023
PRIMARY
PUBCHEM
90479279
Created by admin on Sat Dec 16 00:28:31 GMT 2023 , Edited by admin on Sat Dec 16 00:28:31 GMT 2023
PRIMARY
MERCK INDEX
m540
Created by admin on Sat Dec 16 00:28:31 GMT 2023 , Edited by admin on Sat Dec 16 00:28:31 GMT 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE