GANIRELIX ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C80H113ClN18O13.2C2H4O2
Molecular Weight	1690.423
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=OVBICQMTCPFEBS-SATRDZAXSA-N

InChI=1S/C80H113ClN18O13.2C2H4O2/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54;2*1-2(3)4/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89);2*1H3,(H,3,4)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C80H113ClN18O13
Molecular Weight	1570.319
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	5
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:40:46 UTC 2023` Edited by `admin` on `Sat Dec 16 00:40:46 UTC 2023`
Record UNII	56U7906FQW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GANIRELIX ACETATE

Official Name

English

GANIRELIX ACETATE [MI]

Common Name

English

Ganirelix acetate [WHO-DD]

Common Name

English

RS-26306-298

Code

English

GANIRELIX ACETATE [VANDF]

Common Name

English

GANIREST

Brand Name

English

N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-L-TYROSYL-N(SUP 6)-(N,N'-DIETHYLAMIDINO)-D-LYSYL-L-LEUCYL-N(SUP 6)-(N,N'-DIETHYLAMIDINO)-L-LYSYL-L-PROLYL-D-ALANINAMIDE DIACETATE (SALT)

Common Name

English

GANIRELIX ACETATE [JAN]

Common Name

English

GANIRELIX ACETATE [USAN]

Common Name

English

GANIRELIX ACETATE [ORANGE BOOK]

Common Name

English

GANIRELIX ACETATE [MART.]

Common Name

English

RS-26306

Code

English

GANIRELIX ACETATE INJECTION

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2092