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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H46N2O12
Molecular Weight 710.7688
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINORIFAMYCIN S

SMILES

C[C@@]1([H])/C(/[H])=C(\[H])/C(/[H])=C(/C)\C(=NC2=C(C(=O)c3c(c(c(C)c4c3C(=O)[C@@](C)(O/C(/[H])=C(\[H])/[C@@]([H])([C@@]([H])(C)[C@]([H])([C@]([H])(C)[C@@]([H])([C@]([H])(C)[C@@]1([H])O)O)OC(=O)C)OC)O4)O)C2=O)N)O

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 710.7688
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 Jun 26 03:17:19 UTC 2021
Edited
by admin
on Sat Jun 26 03:17:19 UTC 2021
Record UNII
KIR7I7GQB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINORIFAMYCIN S
Systematic Name English
RIFABUTIN IMPURITY B [EP]
Common Name English
RIFAMYCIN, 3-AMINO-1,4-DIDEOXY-1,4-DIHYDRO-1,4-DIOXO-
Systematic Name English
3-AMINORIFAMYCIN S [EP]
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 Jun 26 03:17:20 UTC 2021 , Edited by admin on Sat Jun 26 03:17:20 UTC 2021
PRIMARY
CAS
51756-80-0
Created by admin on Sat Jun 26 03:17:20 UTC 2021 , Edited by admin on Sat Jun 26 03:17:20 UTC 2021
PRIMARY
FDA UNII
KIR7I7GQB6
Created by admin on Sat Jun 26 03:17:20 UTC 2021 , Edited by admin on Sat Jun 26 03:17:20 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP