RENCOFILSTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C67H122N12O13
Molecular Weight	1303.7582
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@H](O)[C@H](C)CCCCCCNC(C)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O)C(C)C

InChI

InChIKey=KBARHGHBFILILC-NGIJKBHDSA-N

InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C67H122N12O13
Molecular Weight	1303.7582
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:06:40 UTC 2023` Edited by `admin` on `Sat Dec 16 14:06:40 UTC 2023`
Record UNII	M3H4D91AY5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RENCOFILSTAT

Official Name

English

6-((2S,3R,4R)-10-ACETAMIDO-3-HYDROXY-4-METHYL-2-(METHYLAMINO)DECANOIC ACID)-8-(N-METHYL-DALANINE)CYCLOSPORIN A; 1,11-ANHYDRO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R)-10-ACETAMIDO-3-HYDROXYN,4-DIMETHYL-L-2-AMINODECANO

Systematic Name

English

CRV431

Code

English

CYCLOSPORIN A, 6-((2S,3R,4R)-10-(ACETYLAMINO)-3-HYDROXY-4-METHYL-2-(METHYLAMINO)DECANOIC ACID)-8-(N-METHYL-D-ALANINE)-

Systematic Name

English

CPI-431

Code

English

N-((7R,8R)-8-((2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ETHYL-11,17,26,29-TETRAISOBUTYL-14,32-DIISOPROPYL-1,7,8,10,16,20,23,25,28,31-DECAMETHYL-3,6,9,12,15,18,21,24,27,30,33-UNDECAOXO-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2-YL)-8-H

Systematic Name

English

rencofilstat [INN]

Common Name

English

RENCOFILSTAT [USAN]

Common Name

English

CPI-431-32

Code

English

CRV-431

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

885822