BLEOMYCIN B2 SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H84N20O21S2.H2O4S
Molecular Weight	1523.585
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@]6(O[C@@H]1[C@H](O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCCNC(N)=N)C5=CN=CN5)O[C@@H](CO)[C@@H](O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]6O

InChI

InChIKey=CIRWIMDKXPKOMA-WEJIAYKGSA-N

InChI=1S/C55H84N20O21S2.H2O4S/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61;1-5(2,3)4/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66);(H2,1,2,3,4)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C55H84N20O21S2
Molecular Weight	1425.507
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:03 GMT 2023` Edited by `admin` on `Fri Dec 15 16:02:03 GMT 2023`
Record UNII	L321O897RU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BLEOMYCIN B2 SULFATE

Common Name

English

BLEOMYCINAMIDE, N1-(4-((AMINOIMINOMETHYL)AMINO)BUTYL)-, SULFATE (1:1) (SALT)

Common Name

English

Code System Code Type Description

CAS

51773-86-5

Created by admin on Fri Dec 15 16:02:03 GMT 2023 , Edited by admin on Fri Dec 15 16:02:03 GMT 2023

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PUBCHEM

76960406

Created by admin on Fri Dec 15 16:02:03 GMT 2023 , Edited by admin on Fri Dec 15 16:02:03 GMT 2023

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FDA UNII

L321O897RU

Created by admin on Fri Dec 15 16:02:03 GMT 2023 , Edited by admin on Fri Dec 15 16:02:03 GMT 2023

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BLEOMYCIN B2

PARENT -> SALT/SOLVATE