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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H64N2O2
Molecular Weight 604.9484
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BOLAZINE

SMILES

C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C\C1=N/N=C5\C[C@@H]6CC[C@H]7[C@@H]8CC[C@H](O)[C@@]8(C)CC[C@@H]7[C@@]6(C)C[C@H]5C

InChI

InChIKey=BQDZMZRUXNFTQT-KSJDNICASA-N
InChI=1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-13-35(43)37(29,3)17-15-31(27)39)19-33(23)41-42-34-20-26-8-10-28-30-12-14-36(44)38(30,4)18-16-32(28)40(26,6)22-24(34)2/h23-32,35-36,43-44H,7-22H2,1-6H3/b41-33+,42-34+/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35+,36+,37+,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H64N2O2
Molecular Weight 604.9484
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 2
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:18:54 GMT 2025
Edited
by admin
on Mon Mar 31 18:18:54 GMT 2025
Record UNII
508ISH42Z9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOLAZINE
INN  
INN  
Official Name English
17.BETA.-HYDROXY-2.ALPHA.-METHYL-5.ALPHA.-ANDROSTAN-3-ONE AZINE
Preferred Name English
bolazine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2360
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
Code System Code Type Description
SMS_ID
100000086327
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
FDA UNII
508ISH42Z9
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
WIKIPEDIA
BOLAZINE
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
CAS
4267-81-6
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
INN
2604
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
EVMPD
SUB05868MIG
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
NCI_THESAURUS
C72928
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
PUBCHEM
20055426
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID601023499
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
ChEMBL
CHEMBL2104408
Created by admin on Mon Mar 31 18:18:54 GMT 2025 , Edited by admin on Mon Mar 31 18:18:54 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY