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Details

Stereochemistry ABSOLUTE
Molecular Formula C57H89N19O21S2.ClH
Molecular Weight 1477.022
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BLEOMYCIN A5 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=CN=CN4)([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN

InChI

InChIKey=NRVKJXFKQWUKCB-GIIHLZIVSA-N
InChI=1S/C57H89N19O21S2.ClH/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58;/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76);1H/t23-,24+,25+,26-,27-,31-,32+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,55-,56-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C57H89N19O21S2
Molecular Weight 1440.561
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Identification of carbonic anhydrase 9 as a contributor to pingyangmycin-induced drug resistance in human tongue cancer cells.
2010 Nov
Biomarker expression in lung of rabbit with pulmonary fibrosis induced by ammonium perchlorate.
2011 Apr
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:18:40 GMT 2023
Edited
by admin
on Sat Dec 16 18:18:40 GMT 2023
Record UNII
T2UC5J38DD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BLEOMYCIN A5 HYDROCHLORIDE
Common Name English
Bleomycin A5 hydrochloride [WHO-DD]
Common Name English
BLEOMYCINAMIDE, N1-(3-((4-AMINOBUTYL)AMINO)PROPYL)-, HYDROCHLORIDE
Common Name English
Code System Code Type Description
SMS_ID
300000040068
Created by admin on Sat Dec 16 18:18:41 GMT 2023 , Edited by admin on Sat Dec 16 18:18:41 GMT 2023
PRIMARY
PUBCHEM
132981720
Created by admin on Sat Dec 16 18:18:41 GMT 2023 , Edited by admin on Sat Dec 16 18:18:41 GMT 2023
PRIMARY
FDA UNII
T2UC5J38DD
Created by admin on Sat Dec 16 18:18:41 GMT 2023 , Edited by admin on Sat Dec 16 18:18:41 GMT 2023
PRIMARY
CAS
55658-47-4
Created by admin on Sat Dec 16 18:18:41 GMT 2023 , Edited by admin on Sat Dec 16 18:18:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE