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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H37NO13.ClH
Molecular Weight 680.096
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SABARUBICIN HYDROCHLORIDE

SMILES

Cl.[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2[C@@H](O)C[C@]([H])(O[C@H]3C[C@@](O)(CC4=C(O)C5=C(C(=O)C6=CC=CC=C6C5=O)C(O)=C34)C(=O)CO)O[C@H]2C

InChI

InChIKey=BSRQHWFOFMAZRL-BODGVHBXSA-N
InChI=1S/C32H37NO13.ClH/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39;/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3;1H/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-;/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 C32H37NO13
Molecular Weight 643.6351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:06:58 UTC 2023
Edited
by admin
on Fri Dec 15 18:06:58 UTC 2023
Record UNII
2Y0GD160CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SABARUBICIN HYDROCHLORIDE
Common Name English
5,12-NAPHTHACENEDIONE, 7-((4-O-(3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-2,6-DIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,9,11-TRIHYDROXY-9-(HYDROXYACETYL)-, HYDROCHLORIDE (1:1), (7S,9S)-
Systematic Name English
MEN-10755
Code English
Code System Code Type Description
EPA CompTox
DTXSID80873335
Created by admin on Fri Dec 15 18:06:59 UTC 2023 , Edited by admin on Fri Dec 15 18:06:59 UTC 2023
PRIMARY
CAS
169317-77-5
Created by admin on Fri Dec 15 18:06:59 UTC 2023 , Edited by admin on Fri Dec 15 18:06:59 UTC 2023
PRIMARY
PUBCHEM
151896
Created by admin on Fri Dec 15 18:06:59 UTC 2023 , Edited by admin on Fri Dec 15 18:06:59 UTC 2023
PRIMARY
FDA UNII
2Y0GD160CC
Created by admin on Fri Dec 15 18:06:59 UTC 2023 , Edited by admin on Fri Dec 15 18:06:59 UTC 2023
PRIMARY
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