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

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H84N17O21S3.Cl
Molecular Weight 1451.005
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BLEOMYCIN A2 HYDROCHLORIDE

SMILES

[Cl-].[H][C@](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)C4=CNC=N4)([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C

InChI

InChIKey=BODDZCXQPQPRES-OYALTWQYSA-N
InChI=1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BLEOMYCIN A2 HYDROCHLORIDE
WHO-IP  
Common Name English
BLEOMYCIN A2 HYDROCHLORIDE [WHO-IP]
Common Name English
BLEOMYCINAMIDE, N1-(3-(DIMETHYLSULFONIO)PROPYL)-, CHLORIDE (1:1)
Common Name English
BLEOMYCIN A2 CHLORIDE
Common Name English
NSC-146843
Code English
Code System Code Type Description
NSC
146843
Created by admin on Fri Dec 15 15:16:43 UTC 2023 , Edited by admin on Fri Dec 15 15:16:43 UTC 2023
PRIMARY
FDA UNII
26S41LI56J
Created by admin on Fri Dec 15 15:16:43 UTC 2023 , Edited by admin on Fri Dec 15 15:16:43 UTC 2023
PRIMARY
CAS
49830-49-1
Created by admin on Fri Dec 15 15:16:43 UTC 2023 , Edited by admin on Fri Dec 15 15:16:43 UTC 2023
PRIMARY
PUBCHEM
76960929
Created by admin on Fri Dec 15 15:16:43 UTC 2023 , Edited by admin on Fri Dec 15 15:16:43 UTC 2023
PRIMARY