OCTREOTIDE PAMOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H66N10O10S2.C23H16O6
Molecular Weight	1407.609
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC2=CC=CC=C2C(CC3=C(O)C(=CC4=CC=CC=C34)C(O)=O)=C1O.[H][C@]5(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC6=CNC7=CC=CC=C67)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CSSC[C@H](NC5=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)CC9=CC=CC=C9)[C@@H](C)O

InChI

InChIKey=KFWJVABDRRDUHY-XJQYZYIXSA-N

InChI=1S/C49H66N10O10S2.C23H16O6/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);1-10,24-25H,11H2,(H,26,27)(H,28,29)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C49H66N10O10S2
Molecular Weight	1019.239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C23H16O6
Molecular Weight	388.3695
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 `Fri Dec 15 18:36:43 UTC 2023` Edited by `admin` on `Fri Dec 15 18:36:43 UTC 2023`
Record UNII	MWH8YQ1AIO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTREOTIDE PAMOATE

Official Name

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-(2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULPHIDE (R-(R*,R*))-, 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHALENECARBOXYLATE) (1:1) (SALT)

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULFIDE PAMOATE (1:1) (SALT)

Common Name

English

OCTREOTIDE EMBONATE

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULFIDE EMBONATE (1:1) (SALT)

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULPHIDE PAMOATE (1:1) (SALT)

Common Name

English

SMS-201-995 PA

Code

English

OCTREOTIDE PAMOATE [USAN]

Common Name

English

SMS 201-995 PA

Code

English

Octreotide embonate [WHO-DD]

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULFIDE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (1:1) (SALT)

Common Name

English

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULPHIDE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (1:1) (SALT)

Common Name

English

SMS PA

Code

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-(2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE (R-(R*,R*))-, 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHALENECARBOXYLATE) (1:1) (SALT)

Common Name

English

SMS-PA

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C62799