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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H46N2O12
Molecular Weight 710.7673
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINORIFAMYCIN S

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(=O)C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(N)C4=O)C(O)=C3C

InChI

InChIKey=SMPJCQGFZSDIHE-GVDHMVJUSA-N
InChI=1S/C37H46N2O12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,38H2,1-9H3,(H,39,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H46N2O12
Molecular Weight 710.7673
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:31:24 UTC 2023
Edited
by admin
on Sat Dec 16 14:31:24 UTC 2023
Record UNII
KIR7I7GQB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINORIFAMYCIN S
Systematic Name English
RIFAMYCIN, 3-AMINO-1,4-DIDEOXY-1,4-DIHYDRO-1,4-DIOXO-
Systematic Name English
RIFABUTIN IMPURITY B [EP IMPURITY]
Common Name English
3-AMINORIFAMYCIN S [EP IMPURITY]
Common Name English
3-AMINO-1,4-DIDEOXY-1,4-DIHYDRO-1,4-DIOXORIFAMYCIN
Systematic Name English
Code System Code Type Description
PUBCHEM
12889622
Created by admin on Sat Dec 16 14:31:25 UTC 2023 , Edited by admin on Sat Dec 16 14:31:25 UTC 2023
PRIMARY
CAS
51756-80-0
Created by admin on Sat Dec 16 14:31:25 UTC 2023 , Edited by admin on Sat Dec 16 14:31:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID901021109
Created by admin on Sat Dec 16 14:31:25 UTC 2023 , Edited by admin on Sat Dec 16 14:31:25 UTC 2023
PRIMARY
FDA UNII
KIR7I7GQB6
Created by admin on Sat Dec 16 14:31:25 UTC 2023 , Edited by admin on Sat Dec 16 14:31:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP