DMDNA31

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H62N4O13
Molecular Weight	927.0463
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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)=C5OC6=C(N=C45)C(O)=CC(=C6)N7CCC(CC7)N(C)C)C(O)=C3C

InChI

InChIKey=BFIVOHQEVXPDPI-AWHPPKCISA-N

InChI=1S/C50H62N4O13/c1-23-13-12-14-24(2)49(62)52-40-44(60)36-35(39-47(40)66-34-22-31(21-32(56)38(34)51-39)54-18-15-30(16-19-54)53(9)10)37-46(28(6)43(36)59)67-50(8,48(37)61)64-20-17-33(63-11)25(3)45(65-29(7)55)27(5)42(58)26(4)41(23)57/h12-14,17,20-23,25-27,30,33,41-42,45,56-59H,15-16,18-19H2,1-11H3,(H,52,62)/b13-12+,20-17+,24-14-/t23-,25+,26+,27+,33-,41-,42+,45+,50-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H62N4O13
Molecular Weight	927.0463
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 14:06:39 GMT 2023` Edited by `admin` on `Sat Dec 16 14:06:39 GMT 2023`
Record UNII	Q5KH60X1LL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DMDNA31

Code

English

DIMETHYLAMINOPIPERIDYL-RIFA

Common Name

English

RIFAMYCIN VIII, 1',4-DIDEHYDRO-1-DEOXY-5'-(4-(DIMETHYLAMINO)-1-PIPERIDINYL)-1,4-DIHYDRO-3'-HYDROXY-1-OXO-

Systematic Name

English

1',4-DIDEHYDRO-1-DEOXY-5'-(4-(DIMETHYLAMINO)-1-PIPERIDINYL)-1,4-DIHYDRO-3'-HYDROXY-1-OXORIFAMYCIN VIII

Common Name

English

Code System Code Type Description

FDA UNII

Q5KH60X1LL

Created by admin on Sat Dec 16 14:06:40 GMT 2023 , Edited by admin on Sat Dec 16 14:06:40 GMT 2023

PRIMARY

CAS

845625-44-7

Created by admin on Sat Dec 16 14:06:40 GMT 2023 , Edited by admin on Sat Dec 16 14:06:40 GMT 2023

PRIMARY

Related Record Type Details


					BW3SSD8PZ3

DSTA-4637S

PARENT -> METABOLITE ACTIVE