OCTREOTIDE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H66N10O10S2.2ClH
Molecular Weight	1092.161
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=PPJMKGDKFBCNIY-LODIGNQBSA-N

InChI=1S/C49H66N10O10S2.2ClH/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;;/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);2*1H/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:18:22 UTC 2023` Edited by `admin` on `Sat Dec 16 06:18:22 UTC 2023`
Record UNII	H92K6Q47Q9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTREOTIDE HYDROCHLORIDE

Official Name

English

CAM-2029

Code

English

OCTREOTIDE DIHYDROCHLORIDE

Common Name

English

SMS995-AAA

Code

English

CAM2029

Code

English

SMS-995-AAA

Code

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE, HYDROCHLORIDE (1:2)

Systematic Name

English

OCTREOTIDE HYDROCHLORIDE [USAN]

Common Name

English

OCTREOTIDE HYDROCHLORIDE, (-)-

Common Name

English

Octreotide hydrochloride [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

91617941