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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H60N4O11
Molecular Weight 844.9888
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21,31-DIDEHYDRORIFABUTIN

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(=C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C5NC6(CCN(CC(C)C)CC6)N=C45)C(O)=C3C

InChI

InChIKey=DYBBMCQDCATCGZ-BJGNELAZSA-N
InChI=1S/C46H60N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22,25-27,30,37-38,41,49,52-54H,3,16-19,21H2,1-2,4-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t25-,26-,27-,30+,37+,38-,41-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H60N4O11
Molecular Weight 844.9888
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:09:51 UTC 2023
Edited
by admin
on Sat Dec 16 15:09:51 UTC 2023
Record UNII
OE5X0F52QG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21,31-DIDEHYDRORIFABUTIN
Systematic Name English
RIFABUTIN IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
OE5X0F52QG
Created by admin on Sat Dec 16 15:09:51 UTC 2023 , Edited by admin on Sat Dec 16 15:09:51 UTC 2023
PRIMARY
CAS
2241829-23-0
Created by admin on Sat Dec 16 15:09:51 UTC 2023 , Edited by admin on Sat Dec 16 15:09:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP