DEMETHYLBLEOMYCIN A2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H81N17O21S3
Molecular Weight	1400.517
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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)NCCCSC

InChI

InChIKey=FWTQNWDTHLXHFI-XOGQCRKLSA-N

InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

DEMETHYLBLEOMYCIN A2

Common Name

English

BLEOMYCIN SULFATE IMPURITY D [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

11073290

Created by admin on Sat Dec 16 10:22:29 GMT 2023 , Edited by admin on Sat Dec 16 10:22:29 GMT 2023

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CAS

41089-03-6

Created by admin on Sat Dec 16 10:22:29 GMT 2023 , Edited by admin on Sat Dec 16 10:22:29 GMT 2023

PRIMARY

FDA UNII

5PEB269DER

Created by admin on Sat Dec 16 10:22:29 GMT 2023 , Edited by admin on Sat Dec 16 10:22:29 GMT 2023

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SUBSTANCE RECORD


					5PEB269DER

DEMETHYLBLEOMYCIN A2