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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

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C\C([C@H](C)C[C@]34C)=N/N=C5\C[C@]6([H])CC[C@@]7([H])[C@]8([H])CC[C@H](O)[C@@]8(C)CC[C@]7([H])[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 Fri Dec 15 16:05:54 GMT 2023
Edited
by admin
on Fri Dec 15 16:05:54 GMT 2023
Record UNII
508ISH42Z9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOLAZINE
INN  
INN  
Official Name English
bolazine [INN]
Common Name English
17.BETA.-HYDROXY-2.ALPHA.-METHYL-5.ALPHA.-ANDROSTAN-3-ONE AZINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2360
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
Code System Code Type Description
SMS_ID
100000086327
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
FDA UNII
508ISH42Z9
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
WIKIPEDIA
BOLAZINE
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
CAS
4267-81-6
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
INN
2604
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
EVMPD
SUB05868MIG
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
NCI_THESAURUS
C72928
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
PUBCHEM
20055426
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID601023499
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104408
Created by admin on Fri Dec 15 16:05:54 GMT 2023 , Edited by admin on Fri Dec 15 16:05:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY